SCHEMBL13304616

SCHEMBL13304616

Bc1cnn2c(NCc3ccc4c(c3)ncn4C)cc(-c3ccccc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.49
▸ GSK3B P49841 8/20 0.48
▸ CCNE1 P24864 4/20 0.46
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GFER P55789 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ AHR P35869 1/20 0.39

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
SCHEMBL13305382 0.90 CDK2 (0.50) CDK2GSK3BCCNE1NPC1RAB9A
SCHEMBL11930875 0.89 CDK2 (0.64) CDK2GSK3BCCNE1
SCHEMBL13304888 0.79 CDK2 (0.54) CDK2GSK3BCCNE1NPC1RAB9A
SCHEMBL13305601 0.79 CDK2 (0.54) CDK2GSK3BCCNE1NPC1RAB9A
SCHEMBL13304825 0.79 CDK2 (0.52) CDK2GSK3BCCNE1NPC1RAB9A
SCHEMBL13304826 0.78 GSK3B (0.52) CDK2GSK3BCCNE1NPC1RAB9A
SCHEMBL13305042 0.76 HRH4 (0.50) CDK2GSK3BCCNE1
SCHEMBL13146048 0.76 GSK3B (0.77) CDK2GSK3BCCNE1
SCHEMBL13305033 0.75 CDK2 (0.58) CDK2GSK3BCCNE1NPC1RAB9A
SCHEMBL13305112 0.75 CDK2 (0.53) CDK2GSK3BCCNE1NPC1RAB9A

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-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885GSK3B 695/4885CCNE1 37/4885

“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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