SCHEMBL13901487

SCHEMBL13901487

Nc1cc(C2CCN(C(=O)OCc3ccccc3)CC2)nc2c(C3CC3)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 2/20 0.49
▸ TRPC7 Q9HCX4 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GRIN2B Q13224 6/20 0.43
▸ GPR119 Q8TDV5 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL13901218 0.91 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL13901490 0.90 JAK2 (0.44) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL13993128 0.89 TRPC3 (0.49) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL13901344 0.89 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL13901233 0.81 JAK2 (0.46) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL11931159 0.80 GRIN2B (0.47) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL13901347 0.79 JAK2 (0.44) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL12953255 0.79 CHEK1 (0.48) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL13305009 0.79 USP30 (0.45) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1
SCHEMBL13305223 0.79 TRPC3 (0.44) TRPC3TRPC7SMN1; SMN2CYP2C19NPC1

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 4 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-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 TRPC3 4145/4885TRPC7 4319/4885SMN1; SMN2 2337/4885

“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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