SCHEMBL14779332

SCHEMBL14779332

CC(C)=CCNc1ncnc2[nH]c(N(C)C)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CDK1 P06493 5/20 0.49
▸ CCNB2 O95067 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ CCNB3 Q8WWL7 2/20 0.49
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ PRKACG P22612 1/20 0.39
▸ PRKACB P22694 1/20 0.39
▸ MAPK3 P27361 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ NUDT1 P36639 1/20 0.38
▸ HIF1A Q16665 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31

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
SCHEMBL14779029 0.89 TSHR (0.53) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL14779334 0.83 CDK2 (0.59) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL14780256 0.82 CDK2 (0.53) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL14780097 0.81 CDK2 (0.52) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL14779614 0.79 CDK1 (0.52) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL14779909 0.79 CDK2 (0.50) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL14780248 0.77 CDK2 (0.48) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL10442146 0.75 NUDT1 (0.46) CDK2CCNA2MAPK1CCNA1NUDT1
SCHEMBL14779729 0.74 EGFR (0.52) CDK2CYP1A2CDK1CCNB2CCNB1
SCHEMBL2027216 0.73 CDK2 (0.63) CDK2CYP1A2CDK1CCNB2CCNB1

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-2755977-B1 6,8-DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE Univerzita Palackého v Olomouci (CZ) 2016-11-02 — — EP disclosed
US-20130072506-A1 6,8-DISUBSTITUTED PURINE COMPOSITIONS ZAHAJSKA LENKA (CZ) 2013-03-21 — — 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-20130072506-A1 6,8-DISUBSTITUTED PURINE COMPOSITIONS UNG, PNP, UMPS CDK2 255/4885CYP1A2 1398/4885CDK1 624/4885

“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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