SCHEMBL86825

SCHEMBL86825

CC(=O)Oc1cccc2c1N=C(/C=C(\O)c1cccnc1)N1CCN=C21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
GPR6 P46095 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PTAFR P25105 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL86815 0.89 PTAFR (0.37) KMT2AALDH1A1PTAFRTDP1
SCHEMBL28374191 0.88 POLB (0.36) KMT2AALDH1A1GPR6PIK3CBPIK3CG
SCHEMBL86820 0.84 PTAFR (0.39) GPR6PIK3CBPIK3CGPTAFRPKM
SCHEMBL86879 0.84 PTAFR (0.37) KMT2AALDH1A1LMNAGPR6PIK3CB
SCHEMBL86662 0.83 ALDH1A1 (0.38) KMT2AALDH1A1LMNAGPR6PIK3CB
SCHEMBL86428 0.83 CHRNB2 (0.36) ALDH1A1PTAFR
SCHEMBL86663 0.83 PTAFR (0.34) KMT2AALDH1A1LMNAGPR6PIK3CB
SCHEMBL86658 0.83 PTAFR (0.39) ALDH1A1GPR6PIK3CBPIK3CGPTAFR
SCHEMBL86429 0.82 PTAFR (0.33) ALDH1A1PIK3CBPTAFR
SCHEMBL86432 0.82 AOC3 (0.34) ALDH1A1GPR6PIK3CBPIK3CGPTAFR

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 KMT2A 4598/4885ALDH1A1 4300/4885LMNA 4764/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 KMT2A 1309/4885ALDH1A1 798/4885LMNA 1290/4885

“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.