SCHEMBL87070

SCHEMBL87070

O=C(NC1=Nc2ccccc2C2=NCCN12)c1cccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL86740 0.89 KMT2A (0.38) GAAALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL86610 0.88 PRKCI (0.49) GAAALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL86609 0.87 P2RX7 (0.42) GAAALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL87105 0.87 PTAFR (0.43) ALDH1A1SMN1; SMN2TDP1MAPTLMNA
SCHEMBL86728 0.85 L3MBTL1 (0.43) GAAALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL86892 0.85 NPC1 (0.45) SMN1; SMN2MAPTRAB9ANPC1KDM4E
SCHEMBL87135 0.85 PTAFR (0.39) GAAMAPTRXFP1L3MBTL1KMT2A
SCHEMBL86741 0.85 KMT2A (0.47) GAAALDH1A1TDP1LMNARAB9A
SCHEMBL86988 0.83 EGFR (0.42) GAAMAPTLMNARAB9ANPC1
SCHEMBL86961 0.83 NPC1 (0.39) GAAALDH1A1SMN1; SMN2LMNARAB9A

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 GAA 1455/4885ALDH1A1 4300/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 GAA 2583/4885ALDH1A1 798/4885SMN1; SMN2 1755/4885

“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.