SCHEMBL87035

SCHEMBL87035

O=C(NC1=Nc2c(Cl)cccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 5/20 0.43
ABL1 P00519 2/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
RIN1 Q13671 1/20 0.43
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 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
SCHEMBL2259583 0.89 LMNA (0.41) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL86821 0.88 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL87036 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL86945 0.85 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL83347 0.85 MAPT (0.50) SMN1; SMN2ALDH1A1KDM4EMAPTTSHR
SCHEMBL87031 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL82510 0.83 HDAC1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1USP2
Hydrochloric Acid SCHEMBL80801 0.82 HDAC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1USP2
SCHEMBL86822 0.82 F10 (0.40) ALDH1A1POLB
SCHEMBL86810 0.81 KCNMA1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1USP2

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 SMN1; SMN2 3659/4885NPC1 4109/4885RAB9A 1543/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SMN1; SMN2 1755/4885NPC1 757/4885RAB9A 2541/4885

“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.