SCHEMBL3296237

SCHEMBL3296237

COc1ccc(-n2ncc(C(=O)O)c2N)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.79
MAPK14 Q16539 3/20 0.74
MAPKAPK2 P49137 1/20 0.57
RIPK2 O43353 1/20 0.54
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PTGS1 P23219 1/20 0.53
LOX P28300 1/20 0.53
PTGS2 P35354 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL2786396 0.88 MAPK14 (0.70) PTPN1MAPK14MAPKAPK2RIPK2RAB9A
SCHEMBL2855932 0.84 NPC1 (0.69) PTPN1MAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL1356015 0.82 ALDH1A1 (0.79) PTPN1MAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL10365375 0.82 PTPN1 (0.57) PTPN1MAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL28798719 0.82 MAPT (0.62) PTPN1MAPK14RIPK2RAB9ASMN1; SMN2
SCHEMBL1335080 0.81 RIPK2 (0.78) PTPN1MAPK14RIPK2RAB9ANPC1
SCHEMBL2792560 0.80 MAPK14 (0.72) PTPN1MAPK14RIPK2
SCHEMBL594205 0.80 RIPK2 (0.58) PTPN1MAPK14RIPK2RAB9ANPC1
SCHEMBL3374632 0.80 PTPN1 (0.69) PTPN1MAPK14RIPK2RAB9ANPC1
Hydrochloric Acid SCHEMBL3517693 0.80 RIPK2 (0.76) PTPN1MAPK14RIPK2RAB9ANPC1

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
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US claimed
EP-2079702-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES Novartis AG (CH) 2009-07-22 EP claimed
WO-2008052974-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES NOVARTIS AG (CH) 2008-05-08 WO claimed
CN-102316733-A HETEROCYCLIC COMPOUNDS AND METHODS OF USE INST MEDICAL W & E HALL 2012-01-11 CN disclosed
US-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases HOLZER PHILIPP 2010-04-15 US disclosed
EP-2079702-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES Novartis AG (CH) 2009-07-22 EP disclosed
WO-2008052974-A1 3-AMINO-PYRAZOLE-4-CARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF PROTEIN KINASES NOVARTIS AG (CH) 2008-05-08 WO disclosed
EP-0151866-B1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1990-07-25 EP disclosed
US-4620865-A Herbicidal and algicidal 1,5-disubstituted-1H-pyrazole-4-carboxamides ELI LILLY AND COMPANY (US) 1986-11-04 US disclosed
EP-0151866-A2 Herbicidal pyrazole-(thio)-carboxamides ELI LILLY AND COMPANY (US) 1985-08-21 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 (1 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-20100093821-A1 3-Amino-pyrazole-4-carboxamide derivatives useful as inhibitors of protein kinases MAP4K2, MAP4K3, MAP4K1 PTPN1 1230/4885MAPK14 47/4885MAPKAPK2 25/4885

“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.