SCHEMBL462786

SCHEMBL462786

CCCCCNc1cc2c(cc1N)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PTGS1 P23219 1/20 0.35
GPR84 Q9NQS5 6/20 0.35
PRSS1 P07477 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL459658 0.80 XDH (0.40) PTGS2HSD17B10PTGS1GPR84KDM4E
SCHEMBL5728560 0.74 GPR119 (0.51) HSD17B10CASP1CASP7
SCHEMBL22579077 0.70 PRSS1 (0.37) PRSS1
SCHEMBL12959658 0.69 PRSS1 (0.41) GPR84PRSS1
SCHEMBL460543 0.69 CASP1 (0.57) PTGS2HSD17B10CASP1CASP7MAPK1
SCHEMBL15240240 0.68 TLR8 (0.47) PRSS1
SCHEMBL6206980 0.67 CASP1 (0.50) PTGS2HSD17B10CASP1CASP7PTGS1
SCHEMBL1025098 0.67 HSD17B10 (0.50) PTGS2HSD17B10CASP1CASP7TSHR
SCHEMBL21841848 0.65 HDAC6 (0.48)
SCHEMBL14906563 0.65 HDAC6 (0.63) HSD17B10PRSS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595966-B1 SYNTHESIS OF CYCLOPENTAQUINAZOLINES BTG INT LTD (GB) 2020-10-28 EP claimed
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-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 PTGS2 376/4885HSD17B10 4155/4885CASP1 3638/4885

“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.