SCHEMBL86828

SCHEMBL86828

COc1cccc2c1N=C(NC(=O)c1cccnc1C)N1CCN=C21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
P2RX7 Q99572 1/20 0.39
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
JAK2 O60674 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL87050 0.90 GAA (0.43) KMT2AMEN1RAB9ASMN1; SMN2TP53
SCHEMBL86829 0.88 KMT2A (0.39) KMT2AMEN1RAB9ASMN1; SMN2TP53
SCHEMBL86576 0.86 IKBKB (0.37) KMT2AMEN1RAB9ASMN1; SMN2TP53
SCHEMBL17732058 0.86 P2RX7 (0.37) KMT2AMEN1RAB9ASMN1; SMN2TP53
SCHEMBL87060 0.86 POLB (0.40) KMT2AMEN1RAB9ASMN1; SMN2POLB
SCHEMBL86609 0.83 P2RX7 (0.42) KMT2ASMN1; SMN2GAAP2RX7POLB
SCHEMBL83347 0.83 MAPT (0.50) SMN1; SMN2GAAPOLBALDH1A1KDM4E
SCHEMBL17732089 0.82 SGMS2 (0.39) RAB9ANPC1
SCHEMBL17732101 0.82 HTT (0.33) KMT2AMEN1RAB9ASMN1; SMN2GAA
SCHEMBL19328643 0.82 PTAFR (0.37) KMT2AMEN1RAB9ASMN1; SMN2POLB

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 KMT2A 4598/4885MEN1 2685/4885RAB9A 1543/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 KMT2A 1309/4885MEN1 1133/4885RAB9A 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.