SCHEMBL14613276

SCHEMBL14613276

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.53
▸ NPC1 O15118 1/20 0.45
▸ CHEK1 O14757 1/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NAMPT P43490 4/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13289096 0.89 GSK3B (0.55) GSK3BNPC1CHEK1CDK2CYP3A4
SCHEMBL14545841 0.89 GSK3B (0.56) GSK3BCHEK1CYP3A4CYP2D6CYP2C9
SCHEMBL13289101 0.89 GSK3B (0.56) GSK3BCHEK1CDK2NAMPT
SCHEMBL12954475 0.89 GSK3B (0.58) GSK3BCHEK1CYP3A4CYP2D6CYP2C9
SCHEMBL13289097 0.88 GSK3B (0.59) GSK3BCHEK1CDK2NAMPTLMNA
SCHEMBL14607249 0.87 GSK3B (0.55) GSK3BCHEK1CDK2CYP3A4CYP2D6
SCHEMBL12953928 0.87 GSK3B (0.55) GSK3BNPC1CHEK1CDK2NAMPT
SCHEMBL13289388 0.87 GSK3B (0.56) GSK3BCHEK1CDK2
SCHEMBL13289106 0.87 GSK3B (0.53) GSK3BCHEK1CDK2NAMPTALDH1A1
SCHEMBL13289362 0.87 GSK3B (0.61) GSK3BCHEK1CDK2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 937/4885NPC1 3456/4885CHEK1 77/4885

“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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