SCHEMBL6178078

SCHEMBL6178078

Cc1nc2ccccc2n1-c1nc(Cl)nc(Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
MAPK1 P28482 1/20 0.61
TSHR P16473 2/20 0.57
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
RAB9A P51151 4/20 0.47
GALR3 O60755 3/20 0.47
NR2F2 P24468 3/20 0.47
TNF P01375 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.45
ALDH3A1 P30838 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL63585 0.87 HTT (0.71) HTTMAPK1TSHRPIK3CDPIK3CA
SCHEMBL28710126 0.82 PIK3CB (0.87) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL29407245 0.82 PIK3CB (0.87) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL16540662 0.81 HTT (0.56) HTTMAPK1TSHRPIK3CDPIK3CA
SCHEMBL3795141 0.80 SMN1; SMN2 (0.50) HTTMAPK1TSHRPIK3CDPIK3CA
SCHEMBL21959269 0.79 HTT (0.61) HTTMAPK1TSHRPIK3CDPIK3CA
SCHEMBL3062634 0.77 TSHR (0.70) HTTMAPK1TSHRPIK3CDPIK3CA
SCHEMBL19486460 0.77 TSHR (0.82) HTTMAPK1TSHRPIK3CDPIK3CA
SCHEMBL16748535 0.77 BMI1 (0.62) HTTMAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL16687529 0.76 MAPK1 (0.62) HTTMAPK1TSHRPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
US-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
US-9975878-B2 Substituted triazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2018-05-22 US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
US-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-10-13 US disclosed
WO-2015076801-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed
WO-2015076801-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 WO disclosed
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP disclosed
US-6872729-B2 Pyrimidinylbenzimidazole and triazinylbenzimidazole derivatives and agricultural/horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-03-29 US disclosed
US-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-02-05 US disclosed
US-6576631-B1 Broad disease control spectrum; residual effectiveness, rainfastness; nondamaging to crops KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-06-10 US disclosed
EP-1132387-A1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURA/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-09-12 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 (2 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-20160297798-A1 SUBSTITUTED TRIAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B HTT 4137/4885MAPK1 1302/4885TSHR 3430/4885
US-20040023966-A1 Agricultural/ horticultural fungicides containing said derivatives as the active ingredients. CBR3, TH, CASP3 HTT 1293/4885MAPK1 3221/4885TSHR 2221/4885

“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.