SCHEMBL16666416

SCHEMBL16666416

CCSc1ccccc1-c1nc(Cl)c2ncc(C(F)(F)F)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ MET P08581 4/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KIF20B Q96Q89 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ ALDH1A1 P00352 3/20 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
SCHEMBL16872712 0.84 DDR1 (0.37) ALOX5APFEN1CYP1A2CYP3A4CYP2C19
SCHEMBL16666586 0.84 ALOX5AP (0.36) ALOX5APFEN1METCYP1A2CYP3A4
SCHEMBL16885124 0.84 NPC1 (0.36) ALOX5APFEN1CYP1A2KDM4ENPC1
SCHEMBL16666382 0.83 HPGD (0.35) ALOX5APFEN1CYP1A2CYP3A4CYP2C19
SCHEMBL16872713 0.82 NPC1 (0.39) ALOX5APFEN1METCYP1A2CYP3A4
SCHEMBL16667011 0.77 ALOX5AP (0.38) ALOX5APFEN1METNPC1ATM
SCHEMBL16666271 0.77 KDM4E (0.39) ALOX5APFEN1CYP1A2KDM4EKMT2A
SCHEMBL16872716 0.76 DDR1 (0.38) ALOX5APFEN1CYP1A2CYP3A4CYP2C19
SCHEMBL16872722 0.76 CTSD (0.38) CYP1A2CYP3A4CYP2C19KMT2ANPC1
SCHEMBL16872729 0.76 DDR1 (0.37) ALOX5APFEN1CYP1A2CYP3A4CYP2C19

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 10 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

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 ALOX5AP 1753/4885FEN1 3562/4885MET 1238/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 ALOX5AP 2352/4885FEN1 3267/4885MET 1940/4885

“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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