SCHEMBL627286

SCHEMBL627286

Cc1ccc2c(Nc3ccccc3)n[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.57
TRPA1 O75762 4/20 0.51
MAPK10 P53779 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
GRM4 Q14833 3/20 0.48
ITK Q08881 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAP2K7 O14733 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL18235582 0.88 FADS1 (0.72) FADS1TRPA1MAPK1KDM4EHTT
SCHEMBL18410601 0.83 TRPA1 (0.53) FADS1TRPA1MAPK10MAPK14KDM4E
SCHEMBL27604456 0.81 TRPA1 (0.71) FADS1TRPA1MAPK1GRM4MAPT
SCHEMBL18233056 0.81 TRPA1 (0.56) FADS1TRPA1MAPK10MAPK14MAPK1
SCHEMBL801419 0.80 FADS1 (0.69) FADS1TRPA1HTTGRM4MAPT
SCHEMBL29882003 0.80 TRPA1 (0.75) FADS1TRPA1MAPK10KDM4EGRM4
SCHEMBL4741513 0.80 TRPA1 (0.75) FADS1TRPA1MAPK10KDM4EGRM4
SCHEMBL22328197 0.79 TRPA1 (0.54) FADS1TRPA1MAPK10MAPK14MAPK1
SCHEMBL14942621 0.78 ITK (0.47) FADS1MAPK1ITKMAP2K7
SCHEMBL28612510 0.77 LCK (0.47) FADS1CYP1A2MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20160332996-A1 Hepatitis B Antiviral Agents ENANTA PHARMACEUTICALS, INC. 2016-11-17 US disclosed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP disclosed
EP-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed
EP-1432416-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2011-01-19 EP disclosed
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US disclosed
US-7511136-B2 Aminoindazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-31 US disclosed
EP-1820503-A2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them Pfizer Italia S.r.l. (IT) 2007-08-22 EP disclosed
US-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2006-05-18 US disclosed
EP-1506176-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-02-16 EP disclosed
CN-1556702-A Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them 2004-12-22 CN disclosed
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2004-12-16 US disclosed
EP-1432416-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-30 EP disclosed
WO-2003097610-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-11-27 WO disclosed
WO-2003028720-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-04-10 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 (4 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-20060106083-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K3, MAP3K20 FADS1 3676/4885TRPA1 4487/4885MAPK10 338/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 FADS1 3636/4885TRPA1 4825/4885MAPK10 3817/4885
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K15, MAP3K3, MAP3K5 FADS1 4010/4885TRPA1 4472/4885MAPK10 318/4885
US-20160332996-A1 Hepatitis B Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 FADS1 3429/4885TRPA1 4833/4885MAPK10 2722/4885

“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.