SCHEMBL86836

SCHEMBL86836

COc1cc(OC)c2c(c1)C1=NCCN1C(NC(=O)c1cccnc1)=N2

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL83347 0.88 MAPT (0.50) TSHRSMN1; SMN2POLBTDP1MAPT
SCHEMBL87264 0.86 MAPT (0.44) TSHRSMN1; SMN2POLBTDP1MAPT
SCHEMBL86814 0.85 TSHR (0.51) TSHRSMN1; SMN2POLBTDP1MAPT
SCHEMBL83685 0.84 MAPT (0.46) TSHRSMN1; SMN2POLBMAPTALDH1A1
SCHEMBL86984 0.84 KDM4E (0.48) TSHRSMN1; SMN2POLBTDP1MAPT
SCHEMBL82689 0.84 MAPT (0.45) TSHRSMN1; SMN2POLBMAPTALDH1A1
SCHEMBL12533506 0.84 MAPT (0.45) TSHRSMN1; SMN2POLBMAPTALDH1A1
SCHEMBL83770 0.83 TSHR (0.51) TSHRSMN1; SMN2POLBTDP1MAPT
SCHEMBL86845 0.83 NPC1 (0.39) SMN1; SMN2KDM4EGAANPC1
SCHEMBL86574 0.82 MAPT (0.45) TSHRSMN1; SMN2POLBTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 TSHR 582/4885SMN1; SMN2 3659/4885POLB 1757/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TSHR 3515/4885SMN1; SMN2 1755/4885POLB 1015/4885

“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.