SCHEMBL13901347

SCHEMBL13901347

O=C(OCc1ccccc1)N1CCCC(c2cc(Cl)n3ncc(C4CC4)c3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ TRPC3 Q13507 2/20 0.44
▸ TRPC7 Q9HCX4 2/20 0.44
▸ OPRK1 P41145 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BCL9 O00512 4/20 0.40
▸ CTNNB1 P35222 4/20 0.40
▸ ENPP2 Q13822 3/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39

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
SCHEMBL13901233 0.91 JAK2 (0.46) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL13901344 0.90 TRPC3 (0.53) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL12953232 0.90 TRPC3 (0.44) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL13901490 0.90 JAK2 (0.44) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL14395368 0.85 TRPC3 (0.42) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL12953214 0.84 JAK2 (0.45) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL11931160 0.83 USP30 (0.45) JAK2JAK1TYK2JAK3USP30
SCHEMBL11931178 0.82 JAK2 (0.42) JAK2JAK1TYK2JAK3USP30
SCHEMBL13901218 0.81 TRPC3 (0.53) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL12953546 0.79 TRPC3 (0.53) TRPC3TRPC7USP30SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7511049-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-7309705-B2 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — US disclosed
US-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION 2007-11-29 — — 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 (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-20070275983-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS CDK2, CDK1, CDKN1A JAK2 303/4885JAK1 179/4885TYK2 722/4885

“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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