SCHEMBL2185402

SCHEMBL2185402

COC(=O)c1ccc(-c2cc(C#N)c3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.48
EGFR P00533 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PLAU P00749 3/20 0.44
TNKS O95271 2/20 0.44
PTPN1 P18031 1/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2185509 0.83 ESR1 (0.50) EGFRESR1ESR2
SCHEMBL19919240 0.80 ESR1 (0.49) ESR1ESR2ALDH1A1HPGDMAPT
SCHEMBL28756446 0.79 PGR (0.48) ESR1ESR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3717515 0.79 ERN1 (0.50) EGFRPLAUPTPN1TSHRALDH1A1
SCHEMBL2186221 0.77 ALDH1A1 (0.52) ESR1ESR2MAPK1ALDH1A1HPGD
SCHEMBL27627326 0.77 ESR2 (0.73) ESR1ESR2
SCHEMBL30849990 0.75 EGFR (0.64) GPR84EGFRPLAUPTPN1TSHR
SCHEMBL21083536 0.75 EGFR (0.64) GPR84EGFRPLAUPTPN1TSHR
SCHEMBL6165708 0.75 ESR2 (0.56) EGFRESR2PTPN1TSHRALDH1A1
SCHEMBL3722137 0.74 EGFR (0.51) EGFRTSHRALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 EP disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
EP-2343279-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2011-07-13 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 (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-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME XDH, OAT, PON1 GPR84 2164/4885EGFR 4755/4885ESR1 3404/4885

“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.