SCHEMBL86767

SCHEMBL86767

O/C(=C\C1=Nc2c(CN3CCOCC3)cccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 3/20 0.36
FABP6 P51161 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.34
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34
PLOD1 Q02809 1/20 0.34
ROCK2 O75116 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SLC2A1 P11166 1/20 0.33
CHUK O15111 1/20 0.33
INSR P06213 1/20 0.33
MAPK8 P45983 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL86719 0.84 GAA (0.44) GAAKDM4ESMN1; SMN2CHUKINSR
SCHEMBL86835 0.82 PTAFR (0.41) PTAFRGAAKDM4ESMN1; SMN2MAPT
SCHEMBL86771 0.81 MOK (0.37) CHUKINSRMAPK8CAMKK2
SCHEMBL86658 0.81 PTAFR (0.39) PTAFRGAASMN1; SMN2
SCHEMBL86817 0.80 PTAFR (0.39) PTAFRKDM4E
SCHEMBL86421 0.80 PTAFR (0.39) PTAFRMAPT
SCHEMBL86820 0.80 PTAFR (0.39) PTAFRFABP6SMN1; SMN2
SCHEMBL86422 0.80 PTAFR (0.39) PTAFRKDM4E
SCHEMBL86690 0.79 GAA (0.42) GAASMN1; SMN2CHUKINSRMAPK8
SCHEMBL87119 0.78 PTAFR (0.37) PTAFRCYP2C9

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 PTAFR 119/4885GAA 1455/4885KDM4E 3603/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PTAFR 1757/4885GAA 2583/4885KDM4E 4518/4885

“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.