SCHEMBL86925

SCHEMBL86925

O/C(=C\C1=Nc2ccc(Cl)cc2C2=NCCN12)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
SMARCA2 P51531 1/20 0.41
HDAC8 Q9BY41 2/20 0.38
PTAFR P25105 3/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
TGM2 P21980 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR6 P46095 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL86449 0.92 HDAC8 (0.40) PKMSMARCA2HDAC8PTAFRHDAC4
SCHEMBL86837 0.89 PTAFR (0.36) PKMPTAFRL3MBTL1GPR6
SCHEMBL86456 0.88 HDAC8 (0.38) PKMHDAC8PTAFRHDAC4DRD2
SCHEMBL86459 0.88 HDAC8 (0.38) PKMHDAC8PTAFRTGM2MAPT
SCHEMBL86775 0.86 PTAFR (0.39) PKMPTAFRALDH1A1GPR6
SCHEMBL86841 0.86 PTAFR (0.44) HDAC8PTAFRHDAC4MAPTKDM4E
SCHEMBL86455 0.85 TDP1 (0.41) HDAC8PTAFRHDAC4LMNAALDH1A1
SCHEMBL86773 0.85 PTAFR (0.40) PKMPTAFRALDH1A1GPR6
SCHEMBL15119587 0.84 GPR6 (0.37) PKMHDAC8PTAFRMAPTKDM4E
SCHEMBL87183 0.84 ALDH1A1 (0.43) TGM2MAPTLMNAALDH1A1L3MBTL1

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 PKM 2135/4885SMARCA2 3813/4885HDAC8 2721/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PKM 1252/4885SMARCA2 3146/4885HDAC8 1788/4885

“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.