SCHEMBL86830

SCHEMBL86830

COc1cc2c(cc1OC)C1=NCCN1C(NC(=O)c1ccc(N)nc1)=N2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TRPC6 Q9Y210 4/20 0.36
CD274 Q9NZQ7 1/20 0.36
MEN1 O00255 1/20 0.36
AHR P35869 1/20 0.36
KMT2A Q03164 1/20 0.36
P4HTM Q9NXG6 2/20 0.36
SSTR5 P35346 1/20 0.35
DYRK1A Q13627 1/20 0.35
FLT3 P36888 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
GPX4 P36969 1/20 0.35

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
SCHEMBL86563 0.88 MAPT (0.39) MAPTHDAC1KMT2ASMN1; SMN2RAB9A
SCHEMBL81204 0.88 HDAC8 (0.42) MAPTHDAC1HDAC6KDM4EMEN1
SCHEMBL29475043 0.88 HDAC8 (0.42) MAPTHDAC1HDAC6KDM4EMEN1
SCHEMBL86906 0.85 KDM4E (0.42) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL86984 0.85 KDM4E (0.48) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL86605 0.84 KDM4E (0.41) MAPTHDAC1HDAC6KDM4ETRPC6
SCHEMBL86571 0.83 SMN1; SMN2 (0.36) MAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL86839 0.82 HDAC1 (0.42) HDAC1HDAC6KDM4EDYRK1ASMN1; SMN2
SCHEMBL82555 0.82 SMN1; SMN2 (0.35) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL86565 0.82 ACKR3 (0.39) KDM4EMEN1KMT2ASSTR5SMN1; SMN2

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 MAPT 2333/4885HDAC1 2079/4885HDAC6 2117/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAPT 3803/4885HDAC1 699/4885HDAC6 651/4885

“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.