SCHEMBL459658

SCHEMBL459658

CCCCCNc1cc2c(cc1C#N)C(=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
PTGS2 P35354 9/20 0.36
POLB P06746 2/20 0.34
PTGS1 P23219 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PGR P06401 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL462786 0.80 PTGS2 (0.38) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL10527035 0.74 XDH (0.47) XDHPOLBALDH1A1HPGDGPR84
SCHEMBL22591293 0.73 BAZ2B (0.43) PTGS2ALDH1A1HPGDHSD17B10PGR
SCHEMBL5728560 0.71 GPR119 (0.51) HSD17B10
SCHEMBL433705 0.67 CASP1 (0.46) PTGS2KDM4EALDH1A1TSHRMAPK1
SCHEMBL3518973 0.67 PGR (0.38) PTGS2KDM4EALDH1A1TSHRMAPK1
SCHEMBL4247250 0.65 TSHR (0.55) XDHKDM4EALDH1A1HPGDTSHR
SCHEMBL9373869 0.65 RECQL (0.66) XDHPOLBKDM4EALDH1A1MAPK1
SCHEMBL23792337 0.64 PGR (0.38) PTGS2PTGS1KDM4EALDH1A1HPGD
SCHEMBL31674157 0.64 HSD17B1 (0.41) PTGS2PTGS1KDM4EALDH1A1HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809526-B2 Synthesis of cyclopentaquinazolines ONYX PHARMACEUTICALS, INC. (US) 2014-08-19 US claimed
US-20130211082-A1 Synthesis of Cyclopentaquinazolines ONYX PHARMACEUTICALS, INC. (US) 2013-08-15 US claimed
EP-2595966-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES Onyx Pharmaceuticals, Inc. (US) 2013-05-29 EP claimed
WO-2012011939-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES ONYX PHARMACEUTICALS, INC. (US) 2012-01-26 WO claimed
EP-2595966-B1 SYNTHESIS OF CYCLOPENTAQUINAZOLINES BTG INT LTD (GB) 2020-10-28 EP disclosed
US-8809526-B2 Synthesis of cyclopentaquinazolines ONYX PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130211082-A1 Synthesis of Cyclopentaquinazolines ONYX PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
EP-2595966-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES Onyx Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
WO-2012011939-A2 SYNTHESIS OF CYCLOPENTAQUINAZOLINES ONYX PHARMACEUTICALS, INC. (US) 2012-01-26 WO 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 (1 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-20130211082-A1 Synthesis of Cyclopentaquinazolines GLUL, QPCT, ASNS XDH 670/4885PTGS2 376/4885POLB 1559/4885

“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.