SCHEMBL13901577

SCHEMBL13901577

O=C(Nc1cc(C2CCCN2CO)nc2c(C3CC3)cnn12)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.41
▸ GSK3B P49841 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DPP4 P27487 1/20 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
SCHEMBL14516144 0.82 CDK1 (0.40) NTRK1GSK3BHTTMAPK1ALDH1A1
SCHEMBL14516145 0.82 CDK1 (0.40) NTRK1GSK3BHTTMAPK1ALDH1A1
SCHEMBL14395118 0.82 PDE2A (0.41) NTRK1GSK3BHTTMAPK1ALDH1A1
SCHEMBL11931186 0.81 GSK3B (0.51) GSK3BHTTMAPK1ALDH1A1L3MBTL1
SCHEMBL11931177 0.80 BCL6 (0.48) NTRK1GSK3BMAP3K5HDAC1CRACR2A
SCHEMBL11931173 0.80 BCL6 (0.48) NTRK1GSK3BMAP3K5HDAC1CRACR2A
SCHEMBL11931185 0.80 GSK3B (0.54) GSK3B
SCHEMBL14395351 0.79 HDAC1 (0.46) HTTMAPK1ALDH1A1NPC1RAB9A
SCHEMBL11935123 0.79 HTT (0.45) NTRK1HTTMAPK1ALDH1A1NPC1
SCHEMBL11931154 0.79 NPC1 (0.43) HTTMAPK1ALDH1A1NPC1RAB9A

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-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 NTRK1 3181/4885GSK3B 695/4885HTT 3417/4885

“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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