SCHEMBL86449

SCHEMBL86449

O/C(=C\C1=Nc2cc(Cl)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.40
PKM P14618 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMARCA2 P51531 1/20 0.39
PTAFR P25105 2/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
GPR6 P46095 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
TGM2 P21980 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL86925 0.92 PKM (0.42) HDAC8PKMHDAC4HDAC6SMARCA2
SCHEMBL86739 0.89 SMARCA2 (0.46) HDAC8HDAC4HDAC6SMARCA2PTAFR
SCHEMBL86693 0.88 HDAC8 (0.40) HDAC8HDAC4HDAC6PTAFRGPR6
SCHEMBL87137 0.88 HDAC8 (0.40) HDAC8HDAC4HDAC6PTAFRDRD2
SCHEMBL86773 0.87 PTAFR (0.40) PKMPTAFRGPR6CYP11B2ALDH1A1
SCHEMBL87141 0.87 PTAFR (0.42) PTAFRGPR6
SCHEMBL86841 0.86 PTAFR (0.44) HDAC8HDAC4PTAFRGPR6CYP11B2
SCHEMBL86890 0.85 POLB (0.36) HDAC8PTAFRGPR6CYP11B1CYP11B2
SCHEMBL15119587 0.84 GPR6 (0.37) HDAC8PKMPTAFRGPR6KDM4E
SCHEMBL86775 0.84 PTAFR (0.39) PKMPTAFRGPR6CYP11B2ALDH1A1

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 HDAC8 2721/4885PKM 2135/4885HDAC4 1978/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC8 1788/4885PKM 1252/4885HDAC4 2855/4885

“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.