SCHEMBL4717413

SCHEMBL4717413

CSc1ncc(CO)c(NC2CC3CCC2C3)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 5/20 0.42
▸ GABBR1 Q9UBS5 5/20 0.42
▸ HTT P42858 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ PDGFRB P09619 3/20 0.39
▸ PDGFRA P16234 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36

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
SCHEMBL22860432 1.00 GABBR2 (0.42) GABBR2GABBR1HTTKDRAURKB
SCHEMBL3971399 0.88 GABBR2 (0.40) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL28294289 0.81 HTT (0.42) GABBR2GABBR1HTTJAK2JAK1
SCHEMBL23823258 0.80 JAK2 (0.43) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL22860434 0.80 JAK2 (0.43) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL4715006 0.79 MERTK (0.50) GABBR2GABBR1HTTJAK2ADORA1
SCHEMBL29507857 0.79 HTT (0.44) GABBR2GABBR1HTTJAK2
SCHEMBL3975172 0.79 GABBR2 (0.44) GABBR2GABBR1KDRAURKBPDGFRB
SCHEMBL24669666 0.78 HTT (0.42) HTTJAK2JAK1ADORA1ADORA3
SCHEMBL22860433 0.77 ALDH1A1 (0.54) HTTHSD17B10JAK2JAK1

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-20230042936-A1 PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS FUNDACION DEL SECTOR PUBLICO ESTATAL CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (F.S.P. CNIO) (ES) 2023-02-09 — — US disclosed
WO-2021183994-A1 PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS PROSENESTAR LLC (US) 2021-09-16 — — WO disclosed
EP-0964864-B1 PYRIDO 2,3-D PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-04-09 — — EP disclosed
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 — — EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 — — US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 — — US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 — — WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 — — EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 — — 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 (2 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 GABBR2 4684/4885GABBR1 4776/4885HTT 1933/4885
US-20230042936-A1 PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES AS CDK INHIBITORS CDK7, CDK8, CDK9 GABBR2 3848/4885GABBR1 4169/4885HTT 4829/4885

“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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