SCHEMBL3584078

SCHEMBL3584078

N#CC(C=O)c1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.49
▸ FLT3 P36888 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ TYR P14679 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAOB P27338 3/20 0.38

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
SCHEMBL28909935 0.78 CYP2A6 (0.55) CYP2A6FLT3CYP2D6HIF1ASMN1; SMN2
SCHEMBL8191120 0.75 CYP2A6 (0.52) CYP2A6FLT3CYP2D6HIF1ASMN1; SMN2
SCHEMBL2043200 0.75 CYP2A6 (0.52) CYP2A6FLT3CYP2D6HIF1ASMN1; SMN2
SCHEMBL8702187 0.74 CYP19A1 (0.52) CYP2A6SMN1; SMN2POLBTYRDAO
SCHEMBL11346187 0.74 CYP2A6 (0.50) CYP2A6FLT3CYP2D6HIF1ASMN1; SMN2
SCHEMBL5447317 0.72 CYP2A6 (0.45) CYP2A6FLT3CYP2D6HIF1ASMN1; SMN2
SCHEMBL11347550 0.71 CYP2A6 (0.47) CYP2A6FLT3CYP2D6HIF1ASMN1; SMN2
SCHEMBL11457144 0.70 UGT2B7 (0.43) CYP2D6HIF1AMEN1KMT2ACA2
SCHEMBL27904021 0.69 CYP2A6 (0.53) CYP2A6FLT3SMN1; SMN2POLBTYR
SCHEMBL18599925 0.69 CYP2A6 (0.49) CYP2A6FLT3CYP2D6HIF1ASMN1; SMN2

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-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 — — US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 — — EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 — — WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 — — 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 (3 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 CYP2A6 2018/4885FLT3 46/4885CYP2D6 1820/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 CYP2A6 216/4885FLT3 364/4885CYP2D6 28/4885
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA CYP2A6 470/4885FLT3 1688/4885CYP2D6 977/4885

“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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