SCHEMBL21385013

SCHEMBL21385013

O=c1[nH]ncn1-c1ccnc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
GPR119 Q8TDV5 1/20 0.37
IDO1 P14902 1/20 0.35
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30947271 1.00 HTT (0.48) HTTGPR119IDO1PARP1ALDH1A1
SCHEMBL21384959 0.75 GPR119 (0.47) HTTGPR119PARP1TDP1CCNA2
SCHEMBL30947079 0.75 GPR119 (0.47) HTTGPR119PARP1TDP1CCNA2
SCHEMBL1786748 0.75 HTT (0.60) HTTALDH1A1PKMHSD17B10KMT2A
SCHEMBL8718367 0.74 HTT (0.51) HTTGPR119ALDH1A1HSD17B10TDP1
SCHEMBL21382485 0.73 HTT (0.38) HTTGPR119ALDH1A1HSD17B10TDP1
SCHEMBL30947236 0.73 HTT (0.38) HTTGPR119ALDH1A1HSD17B10TDP1
SCHEMBL792758 0.73 HTT (0.50) HTTGPR119ALDH1A1PKMHSD17B10
SCHEMBL21434861 0.72 HTT (0.50) HTTGPR119ALDH1A1PKMTDP1
SCHEMBL21382266 0.72 HTT (0.47) HTTGPR119ALDH1A1PKMHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 CN disclosed
CN-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 CN disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 US disclosed
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2022-11-08 US disclosed
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-11-09 US disclosed
CN-113330001-A 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same 柳韩洋行 2021-08-31 CN disclosed
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-05-20 US disclosed
EP-3768663-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2021-01-27 EP disclosed
US-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-01-26 US disclosed
CN-111886227-A Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2020-11-03 CN disclosed
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 US disclosed
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 US disclosed
US-10562865-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2020-02-18 US disclosed
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-10 US disclosed
WO-2019180644-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-09-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 HTT 1506/4885GPR119 108/4885IDO1 2855/4885
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 HTT 949/4885GPR119 475/4885IDO1 1012/4885
US-10562865-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 HTT 949/4885GPR119 475/4885IDO1 1012/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 HTT 1506/4885GPR119 108/4885IDO1 2855/4885
US-20190308944-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 HTT 1397/4885GPR119 200/4885IDO1 1456/4885
US-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 HTT 949/4885GPR119 475/4885IDO1 1012/4885
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 HTT 1397/4885GPR119 200/4885IDO1 1456/4885
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, NAT1, NCOA1 HTT 949/4885GPR119 475/4885IDO1 1012/4885
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 HTT 1506/4885GPR119 108/4885IDO1 2855/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 HTT 1506/4885GPR119 108/4885IDO1 2855/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 HTT 1506/4885GPR119 108/4885IDO1 2855/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.