SCHEMBL8684331

SCHEMBL8684331

Cc1c(N)n[nH]c1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
IKBKB O14920 1/20 0.57
KMT2A Q03164 3/20 0.56
AKT2 P31751 2/20 0.56
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RPS6KA3 P51812 1/20 0.53
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
PRKDC P78527 2/20 0.49
ILK Q13418 1/20 0.45

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
SCHEMBL24114845 0.81 IKBKB (0.68) MAPK1NPSR1IKBKBKMT2AALDH1A1
SCHEMBL21711385 0.81 IKBKB (0.58) MAPK1NPSR1IKBKBKMT2AALDH1A1
SCHEMBL873201 0.79 AKT2 (0.53) MAPK1NPSR1KMT2AAKT2ALDH1A1
SCHEMBL2949076 0.79 KDM4E (0.68) MAPK1NPSR1KMT2AAKT2ALDH1A1
SCHEMBL11362250 0.78 KDM4E (0.60) MAPK1NPSR1AKT2ALDH1A1KDM4E
SCHEMBL5820038 0.78 MAPK1 (1.00) MAPK1NPSR1KMT2AAKT2ALDH1A1
SCHEMBL1548731 0.78 KDM4E (0.60) MAPK1NPSR1AKT2ALDH1A1KDM4E
SCHEMBL21711439 0.77 IKBKB (0.54) MAPK1NPSR1IKBKBALDH1A1GAA
SCHEMBL6132022 0.77 MAPK1 (0.80) MAPK1NPSR1IKBKBKMT2AAKT2
SCHEMBL2875437 0.76 MAPK1 (0.63) MAPK1NPSR1IKBKBKMT2AAKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
US-5723481-A ANTIULCER AGENTS AND 5-LIPOXYGENASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5698576-A POSSESS ANTI-ULCER AND 5-LIPOXYGENASE INHIBITORY ACTIVITIES SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5665752-A LIPOXYGENASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-09-09 US disclosed
CN-1034333-C Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO CO (JP) 1997-03-26 CN disclosed
CN-1032207-C Imidazopyrazole derivatives useful as analgesics and anti-inflammatory agents SANKYO CO (JP) 1996-07-03 CN disclosed
CN-1094049-A Be used as the preparation method of the imidazolopyrazole derivatives of anodyne and antiphlogistic SANKYO CO (JP) 1994-10-26 CN disclosed
US-5354768-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0353047-B1 Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO CO (JP) 1994-10-05 EP disclosed
US-5232939-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1993-08-03 US disclosed
CN-1040196-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO CO (JP) 1990-03-07 CN 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-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS MAPK1 3377/4885NPSR1 3319/4885IKBKB 650/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS MAPK1 3377/4885NPSR1 3319/4885IKBKB 650/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS MAPK1 3377/4885NPSR1 3319/4885IKBKB 650/4885

“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.