SCHEMBL2575246

SCHEMBL2575246

Cc1n[nH]c2c1C(=O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
DHODH Q02127 1/20 0.42
PTK2 Q05397 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 3/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
LRRK2 Q5S007 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 3/20 0.33
DYRK1A Q13627 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL23774992 0.76 TSHR (0.43) TSHRDHODHPTK2L3MBTL1HTT
SCHEMBL19768752 0.76 TSHR (0.43) TSHRDHODHPTK2L3MBTL1HTT
SCHEMBL21612312 0.76 TSHR (0.43) TSHRDHODHPTK2L3MBTL1HTT
SCHEMBL18237889 0.76 TSHR (0.43) TSHRDHODHPTK2L3MBTL1HTT
SCHEMBL24835450 0.76 HSD17B10 (0.57) TSHRDHODHPTK2L3MBTL1HTT
SCHEMBL17324737 0.74 HCAR2 (0.46) TSHRDHODHPTK2L3MBTL1HTT
SCHEMBL382806 0.72 DHODH (0.52) TSHRDHODHPTK2L3MBTL1HCAR2
SCHEMBL6485837 0.71 BRD4 (0.50) TSHRPTK2L3MBTL1HCAR2MAPT
SCHEMBL17321389 0.71 HCAR2 (0.42) TSHRDHODHPTK2L3MBTL1HTT
SCHEMBL29738463 0.71 CDC7 (0.43) LRRK2DYRK1AMAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO disclosed
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
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
EP-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 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-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-02-20 US disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed
US-8697744-B2 Substituted 5,6-dihydro-4H-thiazolo[4,5-E]indazoles and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2014-04-15 US disclosed
US-20110319425-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-12-29 US disclosed
EP-2382219-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-11-02 EP disclosed
WO-2010079238-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2010-07-15 WO disclosed
EP-0276833-B1 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMA (US) 1995-02-15 EP disclosed
EP-0276834-B1 Cycloalkane [1,2-c:4,3-c'] dipyrazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-02 EP disclosed
EP-0276833-A2 Dipyrazoles useful as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP disclosed
EP-0276834-A1 Cycloalkane [1,2-c:4,3-c'] dipyrazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1988-08-03 EP disclosed
US-4734429-A Cycloalkane[1,2-c:4,3-c']dipyrazoles and their use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-29 US disclosed
US-4734430-A Dipyrazoles and their use as bronchodilators MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-29 US 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-11208400-B2 Substituted 6-(1H-pyrazol-1-yl)pyrimidin-4-amine derivatives and uses thereof REN, ATP6V1B1, GLS TSHR 4285/4885DHODH 585/4885PTK2 4229/4885
US-20110319425-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM4, GRM2 TSHR 507/4885DHODH 4647/4885PTK2 3236/4885
US-20200055842-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS TSHR 4285/4885DHODH 585/4885PTK2 4229/4885
US-20230065629-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF REN, ATP6V1B1, GLS TSHR 4285/4885DHODH 585/4885PTK2 4229/4885

“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.