SCHEMBL86436

SCHEMBL86436

O/C(=C\C1=Nc2cc(N3CCN(Cc4ccccc4)CC3)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
CHRM2 P08172 1/20 0.40
KDM4E B2RXH2 5/20 0.39
GFER P55789 1/20 0.39
KHK P50053 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
DRD4 P21917 1/20 0.37
CCR5 P51681 1/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36

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
SCHEMBL86442 0.87 RPS6KA3 (0.37) KHKPOLBALDH1A1KMT2AHSD17B10
SCHEMBL86669 0.85 PLOD2 (0.43) MAPTSMN1; SMN2GFERLMNAPOLB
SCHEMBL86835 0.83 PTAFR (0.41) MAPTSMN1; SMN2MAPK1CHRM2KDM4E
SCHEMBL86449 0.81 HDAC8 (0.40) KDM4ELMNAALDH1A1DRD2
SCHEMBL87141 0.80 PTAFR (0.42) POLB
SCHEMBL86841 0.80 PTAFR (0.44) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL86693 0.79 HDAC8 (0.40) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL87137 0.79 HDAC8 (0.40) SMN1; SMN2KDM4ELMNAALDH1A1HTT
SCHEMBL86773 0.79 PTAFR (0.40) SMN1; SMN2MAPK1ALDH1A1
SCHEMBL87190 0.78 HDAC1 (0.39) KDM4EALDH1A1MEN1KMT2A

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 MAPT 2333/4885SMN1; SMN2 3659/4885MAPK1 1451/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAPT 3803/4885SMN1; SMN2 1755/4885MAPK1 137/4885

“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.