SCHEMBL86576

SCHEMBL86576

COc1cc2c(c(OC)c1C)N=C(NC(=O)c1cccnc1C)N1CCN=C21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
ICOSLG O75144 1/20 0.37
TYK2 P29597 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ICOS Q9Y6W8 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
P2RX7 Q99572 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL86828 0.86 KMT2A (0.40) KDM4EATP4AATP4BP2RX7SMN1; SMN2
SCHEMBL17732058 0.86 P2RX7 (0.37) IKBKBCHUKICOSLGTYK2CLK1
SCHEMBL87264 0.84 MAPT (0.44) KDM4ESMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL17732101 0.82 HTT (0.33) IKBKBCHUKICOSLGTYK2CLK1
SCHEMBL17732089 0.82 SGMS2 (0.39) RAB9ANPC1
SCHEMBL17732339 0.81 P2RX7 (0.34) IKBKBCHUKICOSLGTYK2CLK1
Trifluoroacetic Acid SCHEMBL17732100 0.81 IKBKB (0.33) IKBKBCHUKICOSLGTYK2CLK1
SCHEMBL24632275 0.80 DRD2 (0.35) KDM4EALDH1A1MAPT
SCHEMBL24632268 0.80 MET (0.36) KDM4EALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL24632231 0.79 PIK3CB (0.37) IKBKBCHUKICOSLGTYK2CLK1

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 IKBKB 337/4885CHUK 138/4885ICOSLG 876/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 IKBKB 260/4885CHUK 57/4885ICOSLG 4854/4885

“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.