SCHEMBL12954486

SCHEMBL12954486

Cc1cnn2c(NCCCNS(=O)(=O)c3cccc(O)c3)cc(-c3ccccc3O)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.38
▸ RAF1 P04049 4/20 0.38
▸ MAPK8 P45983 5/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ MAPK14 Q16539 5/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ HIPK1 Q86Z02 1/20 0.37
▸ MAP3K20 Q9NYL2 1/20 0.37
▸ GSK3B P49841 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL14607254 0.98 RAF1 (0.37) BRAFRAF1MAPK8MAPK9MAPK10
SCHEMBL14613381 0.91 GSK3B (0.35) GSK3BTP53ALDH1A1KDM4ENPC1
SCHEMBL14607255 0.86 GSK3B (0.37) BRAFMAPK14GSK3BALDH1A1KDM4E
SCHEMBL13289008 0.81 GSK3B (0.47) BRAFGSK3BTP53ALDH1A1KDM4E
SCHEMBL14581371 0.80 GSK3B (0.46) GSK3BALDH1A1NPC1MAPTRAB9A
SCHEMBL14418710 0.80 MEN1 (0.39) GSK3BTP53ALDH1A1KDM4ENPC1
SCHEMBL14613413 0.79 GSK3B (0.36) GSK3BTP53ALDH1A1KDM4ENPC1
SCHEMBL14418864 0.78 CYP19A1 (0.41) GSK3BNPC1RAB9A
SCHEMBL14545277 0.76 GSK3B (0.46) GSK3B
SCHEMBL14043342 0.76 MARS1 (0.40) GSK3BTP53ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 — — 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-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A BRAF 458/4885RAF1 337/4885MAPK8 920/4885

“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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