SCHEMBL796641

SCHEMBL796641

COC(=O)c1ccnn1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
KLKB1 P03952 1/20 0.43
ELANE P08246 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
FLT1 P17948 4/20 0.39
KDR P35968 4/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL17438056 0.86 FLT1 (0.43) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL31094770 0.85 HDAC4 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25660343 0.81 KMT2A (0.42) L3MBTL1FLT1KDRRAB9ANPC1
SCHEMBL7056151 0.80 F2 (0.48) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL2214930 0.80 MAPK1 (0.38) L3MBTL1FLT1KDRRAB9ANPC1
SCHEMBL24937400 0.80 L3MBTL1 (0.56) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL7056155 0.80 F2 (0.48) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL25564436 0.79 MAPK1 (0.35) L3MBTL1FLT1KDRRAB9ANPC1
SCHEMBL31460083 0.79 F2 (0.47) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL17076689 0.79 CCNC (0.39) FLT1KDRRAB9ANPC1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919908-B2 Thienopyrimidinone derivative and application thereof in preparing anticancer drug HENAN GENUINE BIOTECH CO., LTD. (CN) 2021-02-16 US disclosed
EP-3567043-A1 THIENOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MANUFACTURING OF ANTITUMOR DRUGS Henan Genuine Biotech Co., Ltd. (CN) 2019-11-13 EP disclosed
US-20190330230-A1 THIENOPYRIMIDINONE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTICANCER DRUG HENAN GENUINE BIOTECH CO., LTD. (CN) 2019-10-31 US disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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 (4 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 F2 1610/4885PLAU 4448/4885KLKB1 4609/4885
US-10919908-B2 Thienopyrimidinone derivative and application thereof in preparing anticancer drug CCND3, CCND1, CCND2 F2 352/4885PLAU 4354/4885KLKB1 4233/4885
US-20190330230-A1 THIENOPYRIMIDINONE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTICANCER DRUG CCND3, CCND1, CCND2 F2 352/4885PLAU 4354/4885KLKB1 4233/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 F2 1610/4885PLAU 4448/4885KLKB1 4609/4885

“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.