SCHEMBL86651

SCHEMBL86651

Cc1nc2ncccc2cc1C(=O)NC1=Nc2ccccc2C2=NCCN12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.31
DNMT1 P26358 1/20 0.31
RAD52 P43351 1/20 0.31
UHRF1 Q96T88 1/20 0.31
AHR P35869 1/20 0.31
IDO1 P14902 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL86652 0.86 MGLL (0.36) PTAFRKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL86609 0.85 P2RX7 (0.42) PTAFRKMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL86829 0.84 KMT2A (0.39) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL86907 0.83 KDM4E (0.41) PTAFRKMT2ARAB9ANPC1MAPT
SCHEMBL86892 0.82 NPC1 (0.45) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL86740 0.81 KMT2A (0.38) PTAFRKMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL86637 0.81 GABRP (0.39) PTAFRL3MBTL1MAPTLMNADNMT1
SCHEMBL86610 0.80 PRKCI (0.49) KMT2AL3MBTL1SMN1; SMN2DNMT1RAD52
SCHEMBL87070 0.79 GAA (0.50) KMT2AL3MBTL1RAB9ANPC1MAPT
SCHEMBL87135 0.79 PTAFR (0.39) PTAFRKMT2AL3MBTL1MAPTGAA

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 10 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-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 PTAFR 119/4885KMT2A 4598/4885L3MBTL1 3991/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885KMT2A 1309/4885L3MBTL1 3744/4885

“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.