SCHEMBL14545281

SCHEMBL14545281

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)Nc4cccc(OC)c4)C3)nc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.50
▸ CCR3 P51677 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL13121529 0.93 GSK3B (0.61) GSK3BCCR3
SCHEMBL13289230 0.92 GSK3B (0.52) GSK3BCCR3ALDH1A1CHEK1FAAH
SCHEMBL14307170 0.90 GSK3B (0.52) GSK3BALDH1A1CHEK1FAAHTSHR
SCHEMBL12954332 0.88 GSK3B (0.53) GSK3BCHEK1FAAHPOLB
SCHEMBL14613495 0.88 GSK3B (0.51) GSK3BCHEK1FAAH
SCHEMBL13121547 0.87 GSK3B (0.63) GSK3B
SCHEMBL14307171 0.87 GSK3B (0.53) GSK3BCHEK1
SCHEMBL13121530 0.85 GSK3B (0.63) GSK3B
SCHEMBL13304610 0.85 GSK3B (0.59) GSK3BCHEK1
SCHEMBL14418661 0.85 GSK3B (0.54) GSK3BCHEK1FAAHHTTMAPK1

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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO 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 GSK3B 937/4885CCR3 3796/4885ALDH1A1 1299/4885

“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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