SCHEMBL87015

SCHEMBL87015

O=C(Cc1cccs1)NC1=Nc2ccccc2C2=NCCN12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 11/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
ESR2 Q92731 4/20 0.44
ESR1 P03372 1/20 0.44
STAT3 P40763 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
GAPDH P04406 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
NTRK1 P04629 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 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
SCHEMBL86661 0.83 MAPT (0.48) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL86758 0.81 PTAFR (0.41) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL86759 0.79 TSHR (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL87064 0.78 GAA (0.44) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL86893 0.78 KCNQ2 (0.49) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL86897 0.77 DNMT1 (0.42) MEN1KMT2A
SCHEMBL87079 0.77 CASP3 (0.41) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL86665 0.77 CASP3 (0.42) MAPTALDH1A1PKMTDP1GAA
SCHEMBL86910 0.77 RAB9A (0.43) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL86894 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHSD17B10LMNA

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 11 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
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP 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 POLB 1757/4885SMN1; SMN2 3659/4885ESR2 1443/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 POLB 1015/4885SMN1; SMN2 1755/4885ESR2 4236/4885

“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.