SCHEMBL86558

SCHEMBL86558

Cc1ncccc1C(=O)NC1=Nc2cc(Br)ccc2C2=NCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
SORT1 Q99523 2/20 0.38
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GPR35 Q9HC97 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RCE1 Q9Y256 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL86609 0.87 P2RX7 (0.42) P2RX7L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL86780 0.84 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL80988 0.80 GAA (0.47) HDAC8L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL86828 0.77 KMT2A (0.40) P2RX7L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL17732058 0.77 P2RX7 (0.37) P2RX7L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL86740 0.77 KMT2A (0.38) HDAC8HDAC4L3MBTL1MAPTALDH1A1
SCHEMBL86610 0.76 PRKCI (0.49) L3MBTL1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL86651 0.76 PTAFR (0.35) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL86576 0.75 IKBKB (0.37) P2RX7L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL87070 0.75 GAA (0.50) L3MBTL1MAPTKDM4EALDH1A1SMN1; 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 P2RX7 1172/4885HDAC8 2721/4885SORT1 4467/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 P2RX7 1450/4885HDAC8 1788/4885SORT1 2548/4885

“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.