SCHEMBL86679

SCHEMBL86679

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
EED O75530 1/20 0.43
PTAFR P25105 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL86961 0.87 NPC1 (0.39) ALDH1A1NPC1RAB9APTAFRSMN1; SMN2
SCHEMBL87105 0.86 PTAFR (0.43) ALDH1A1TSHRNPSR1L3MBTL1NPC1
SCHEMBL86740 0.84 KMT2A (0.38) ALDH1A1L3MBTL1KMT2APTAFRTDP1
SCHEMBL87360 0.84 TDP1 (0.44) ALDH1A1HTTUSP2GLATSHR
SCHEMBL86871 0.83 PIK3CB (0.46) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL86696 0.82 ALDH1A1 (0.47) ALDH1A1HTTNPC1RAB9AKMT2A
SCHEMBL87070 0.82 GAA (0.50) ALDH1A1HTTL3MBTL1NPC1RAB9A
SCHEMBL86609 0.82 P2RX7 (0.42) ALDH1A1L3MBTL1KMT2APTAFRSMN1; SMN2
SCHEMBL86897 0.82 DNMT1 (0.42) KMT2AMEN1EEDPTAFRHDAC8
SCHEMBL86892 0.81 NPC1 (0.45) NPC1RAB9AKMT2AMEN1SMN1; 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 ALDH1A1 4300/4885HTT 2034/4885USP2 4017/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ALDH1A1 798/4885HTT 3020/4885USP2 3259/4885

“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.