SCHEMBL474839

SCHEMBL474839

CCCCCn1ccc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.44
KDR P35968 5/20 0.44
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
HTT P42858 5/20 0.39
LMNA P02545 3/20 0.39
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
PABPC1 P11940 1/20 0.39
GALR3 O60755 2/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL9729198 0.98 KDR (0.46) TLR8KDRALDH1A1TDP1MEN1
SCHEMBL1863191 0.98 KDR (0.46) TLR8KDRALDH1A1TDP1MEN1
SCHEMBL1862049 0.98 KDR (0.46) TLR8KDRALDH1A1TDP1MEN1
SCHEMBL1860836 0.94 ALDH1A1 (0.44) TLR8KDRALDH1A1TDP1MEN1
SCHEMBL1859454 0.86
SCHEMBL6302339 0.81 ALDH1A1 (0.38) TLR8KDRALDH1A1TDP1MEN1
SCHEMBL1857052 0.81 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL6302479 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL6302963 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2AL3MBTL1
SCHEMBL292558 0.78 NPC1 (0.40) TLR8KDRALDH1A1NPC1RAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0222253-A1 Substituted 5-amino-1-aryl-pyrazoles BAYER AG (DE) 1987-05-20 EP claimed
US-9474758-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2016-10-25 US disclosed
US-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-06-04 US disclosed
US-8987278-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-24 US disclosed
US-8575178-B2 Isothiazolo-pyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-11-05 US disclosed
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-10-31 US disclosed
EP-2634191-A1 Process for preparing derivatives of thienopyrimidinedione Glenmark Pharmaceuticals S.A. (CH) 2013-09-04 EP disclosed
US-8507503-B2 Thienopyrimidinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-13 US disclosed
EP-2411397-B1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
EP-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 EP disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 US disclosed
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas DUMAS JACQUES 2008-12-04 US disclosed
US-7329670-B1 Inhibition of RAF kinase using aryl and heteroaryl substituted heterocyclic ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-02-12 US disclosed
EP-0127371-B1 1,N-DIARYL-4,5-DIHYDRO-1H-PYRAZOL-3-AMINES, COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR PREPARATION FISONS plc (GB) 1990-11-22 EP disclosed
EP-0154980-B1 NEGATIVE WORKING LIGHT-SENSITIVE LITHOGRAPHIC PLATE REQUIRING NO DAMPENING SOLUTION AND PLATE MAKING PROCESS FUJI PHOTO FILM CO., LTD. (JP) 1990-05-30 EP disclosed
EP-0295482-A1 Substituted 5-ethylamino-1-arylpyrazoles BAYER AG (DE) 1988-12-21 EP disclosed
EP-0232538-A2 5-Acylamido-1-aryl pyrazoles BAYER AG (DE) 1987-08-19 EP disclosed
EP-0222253-A1 Substituted 5-amino-1-aryl-pyrazoles BAYER AG (DE) 1987-05-20 EP 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-20150150876-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 TLR8 391/4885KDR 1734/4885ALDH1A1 475/4885
US-20080300281-A1 Inhibition of p38 Kinase Activity Using Aryl and Heteroaryl Substituted Heterocyclic Ureas MAPK1, MAP3K1, MAP3K2 TLR8 955/4885KDR 3226/4885ALDH1A1 1576/4885
US-20130289054-A1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV6 TLR8 391/4885KDR 1734/4885ALDH1A1 475/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 TLR8 167/4885KDR 2134/4885ALDH1A1 871/4885

“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.