SCHEMBL14779033

SCHEMBL14779033

CC(=CCNc1ncnc2nc(N(C)C)[nH]c12)CO

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ RECQL P46063 1/20 0.61
▸ CYP1A2 P05177 2/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ NUDT1 P36639 1/20 0.46
▸ CSF1R P07333 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CCNB2 O95067 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCNB3 Q8WWL7 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL14779031 1.00 TSHR (0.61) TSHRRECQLCYP1A2CDK2NUDT1
SCHEMBL14779334 0.89 CDK2 (0.59) TSHRRECQLCYP1A2CDK2NUDT1
SCHEMBL14779029 0.84 TSHR (0.53) TSHRRECQLCYP1A2CDK2NUDT1
SCHEMBL14779867 0.83 TSHR (0.64) TSHRRECQLCYP1A2CDK2NUDT1
SCHEMBL14779864 0.83 TSHR (0.64) TSHRRECQLCYP1A2CDK2NUDT1
SCHEMBL14786534 0.77 NUDT1 (0.47) TSHRRECQLNUDT1
SCHEMBL14786537 0.77 NUDT1 (0.47) TSHRRECQLNUDT1
SCHEMBL25176316 0.76 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL49690 0.76 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL29412055 0.76 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4

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 TSHR 3236/4885RECQL 640/4885CYP1A2 1398/4885

“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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