SCHEMBL16666271

SCHEMBL16666271

CCSc1ccccc1-c1nc2cc(C(F)(F)F)cnc2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PDE5A O76074 5/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GUSB P08236 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36

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
SCHEMBL16666988 0.85 L3MBTL1 (0.48) KDM4EKMT2AALDH1A1DDR1SMN1; SMN2
SCHEMBL16885113 0.85 PDE5A (0.43) KDM4EKMT2APDE5AADORA3ADORA2A
SCHEMBL10281005 0.85 ALOX5AP (0.43) KDM4EKMT2APDE5AADORA3ADORA2A
SCHEMBL16666324 0.83 PDE5A (0.41) KDM4EKMT2APDE5ADDR1GUSB
SCHEMBL15427236 0.77 ALOX5AP (0.42) KDM4EPDE5AADORA3ADORA2AADORA1
SCHEMBL16666416 0.77 ALOX5AP (0.36) KDM4EKMT2AADORA3ADORA2AADORA1
SCHEMBL15426441 0.76 ALOX5AP (0.41) KDM4EPDE5AADORA3ADORA2AADORA1
SCHEMBL16666586 0.74 ALOX5AP (0.36) KDM4EKMT2AADORA3ADORA2AADORA1
SCHEMBL15412441 0.74 ALOX5AP (0.35) KDM4EKMT2AALDH1A1DDR1NPC1
SCHEMBL16885077 0.73 GUSB (0.46) KDM4EKMT2APDE5AALDH1A1NPC1

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
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 KDM4E 2558/4885KMT2A 2282/4885PDE5A 3903/4885
US-20150191474-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR0B1, NR0B2 KDM4E 2444/4885KMT2A 2515/4885PDE5A 3907/4885

“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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