SCHEMBL86432

SCHEMBL86432

O/C(=C\C1=Nc2c(OCC3CC3)cccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.34
PTAFR P25105 1/20 0.34
CGAS Q8N884 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MELK Q14680 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PDE5A O76074 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
GAA P10253 1/20 0.31
GPR6 P46095 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL86879 0.88 PTAFR (0.37) PTAFRALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL87080 0.88 CGAS (0.33) AOC3PTAFRCGASPDE4APDE4B
SCHEMBL86663 0.87 PTAFR (0.34) PTAFRALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL86815 0.85 PTAFR (0.37) PTAFRALDH1A1
SCHEMBL86428 0.85 CHRNB2 (0.36) PTAFRALDH1A1
SCHEMBL86429 0.84 PTAFR (0.33) PTAFRALDH1A1PIK3CB
SCHEMBL86719 0.82 GAA (0.44) GAA
SCHEMBL86825 0.82 KMT2A (0.36) PTAFRALDH1A1GPR6PIK3CBPIK3CG
SCHEMBL86662 0.82 ALDH1A1 (0.38) PTAFRALDH1A1GAAGPR6PIK3CB
SCHEMBL86658 0.81 PTAFR (0.39) PTAFRPDE4APDE4BPDE4CPDE4D

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 AOC3 2835/4885PTAFR 119/4885CGAS 1229/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 AOC3 3235/4885PTAFR 1757/4885CGAS 4437/4885

“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.