SCHEMBL16666266

SCHEMBL16666266

CCS(=O)(=O)c1ccccc1-c1ncc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 9/20 0.44
▸ USP1 O94782 3/20 0.44
▸ PDE2A O00408 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALPL P05186 1/20 0.36
▸ WDR48 Q8TAF3 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL16872708 0.86 USP1 (0.42) DDR1USP1PDE2APOLBALOX5AP
SCHEMBL16885087 0.84 USP1 (0.41) USP1ALOX5APFEN1
SCHEMBL28002839 0.79 KDM1A (0.43) PTGDR2
SCHEMBL16667011 0.78 ALOX5AP (0.38) DDR1USP1PDE2AALOX5APFEN1
SCHEMBL16872730 0.76 TLR7 (0.45) DDR1USP1PDE2AWDR48
SCHEMBL9952750 0.74 ILK (0.49) DDR1PDE2A
SCHEMBL9951989 0.74 UTRN (0.49) DDR1POLBMEN1KMT2A
SCHEMBL16885099 0.74 CYP1A2 (0.40) USP1ALOX5APFEN1KMT2A
SCHEMBL20628137 0.74 ALOX5AP (0.46) DDR1POLBALOX5APFEN1KMT2A
SCHEMBL9959692 0.74 PDE2A (0.53) DDR1PDE2A

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
EP-2865671-B1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 — — EP disclosed
US-9328121-B1 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-03 — — US disclosed
US-9328121-B1 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-05-03 — — US disclosed
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-04-14 — — US disclosed
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-04-14 — — US disclosed
US-9260436-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-16 — — US disclosed
US-9260436-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-16 — — US disclosed
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-09 — — US disclosed
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-09 — — US disclosed
EP-2865671-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-04-29 — — EP disclosed
CN-104395298-A Fused heterocyclic compound SUMITOMO CHEMICAL CO 2015-03-04 — — CN 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-20160102100-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, CYP4B1, NR1H4 DDR1 3473/4885USP1 2651/4885PDE2A 4442/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 DDR1 2509/4885USP1 2314/4885PDE2A 4350/4885

“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.

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