SCHEMBL86832

SCHEMBL86832

COc1cc2c(cc1OC)C1=NCCN1C(NC(=O)c1ccc3[nH]cnc3c1)=N2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.42
KMT2A Q03164 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 4/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
QPCT Q16769 1/20 0.37
BRD4 O60885 1/20 0.37
F2 P00734 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL82211 0.89 NPC1 (0.46) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL82844 0.89 KMT2A (0.46) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL86948 0.86 KMT2A (0.43) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL82997 0.86 POLB (0.47) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL86850 0.86 POLB (0.40) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL83367 0.86 NPC1 (0.43) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL86813 0.86 TDP1 (0.44) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL82578 0.85 KDM4E (0.42) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL86867 0.85 POLB (0.38) POLBKMT2ANPC1RAB9AMEN1
SCHEMBL86899 0.84 HDAC3 (0.45) POLBKMT2ANPC1RAB9AMEN1

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 1757/4885KMT2A 4598/4885NPC1 4109/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 POLB 1015/4885KMT2A 1309/4885NPC1 757/4885

“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.