SCHEMBL87061

SCHEMBL87061

O=C(NC1=Nc2ccccc2C2=NCCN12)c1csc(-c2cccnc2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.56
TLR7 Q9NYK1 1/20 0.55
CHEK1 O14757 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HDAC6 Q9UBN7 1/20 0.52
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
ROCK2 O75116 1/20 0.47
HDAC2 Q92769 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL87013 0.91 CHEK1 (0.52) IRAK4TLR7CHEK1MAPK1ATM
SCHEMBL86883 0.81 ALDH1A1 (0.47) NPC1RAB9AHDAC6HDAC2MAPT
SCHEMBL82510 0.80 HDAC1 (0.45) NPC1RAB9AROCK2HDAC2MAPT
Hydrochloric Acid SCHEMBL80801 0.79 HDAC1 (0.44) NPC1RAB9AROCK2HDAC2MAPT
SCHEMBL86728 0.78 L3MBTL1 (0.43) TLR7NPC1RAB9AHDAC6HDAC2
SCHEMBL86754 0.77 ALDH1A1 (0.48) NPC1RAB9AATMMAPT
SCHEMBL87019 0.74 HTT (0.43) NPC1RAB9AGAAMAPT
SCHEMBL86615 0.74 TYK2 (0.38) ATMMAPT
SCHEMBL86907 0.74 KDM4E (0.41) NPC1RAB9AMAPK1MAPT
SCHEMBL87079 0.73 CASP3 (0.41) NPC1RAB9AGAA

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 IRAK4 81/4885TLR7 1604/4885CHEK1 317/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 IRAK4 559/4885TLR7 269/4885CHEK1 68/4885

“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.