SCHEMBL14779863

SCHEMBL14779863

C/C(=C\CNc1ncnc2[nH]c(N)nc12)CO

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CDK2 P24941 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CDK1 P06493 5/20 0.41
▸ CCNB2 O95067 2/20 0.41
▸ CCNB1 P14635 2/20 0.41
▸ CCNB3 Q8WWL7 2/20 0.41
▸ AHCY P23526 2/20 0.38
▸ PRKACA P17612 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ TK1 P04183 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
SCHEMBL14780256 0.88 CDK2 (0.53) TSHRRECQLCDK2CYP1A2CDK1
SCHEMBL14779864 0.85 TSHR (0.64) TSHRRECQLCDK2CYP1A2CDK1
SCHEMBL14779867 0.85 TSHR (0.64) TSHRRECQLCDK2CYP1A2CDK1
SCHEMBL14779029 0.84 TSHR (0.53) TSHRRECQLCDK2CYP1A2CDK1
SCHEMBL14876945 0.78 TSHR (0.66) TSHRRECQLCDK2CYP1A2CDK1
SCHEMBL49689 0.78 TSHR (0.66) TSHRRECQLCDK2CYP1A2CDK1
SCHEMBL15950878 0.78 TSHR (0.66) TSHRRECQLCDK2CYP1A2CDK1
Hydrochloric Acid SCHEMBL584648 0.77 TSHR (0.64) TSHRRECQLCDK2CYP1A2CDK1
Phosphoric Acid SCHEMBL3301227 0.73 TSHR (0.59) TSHRRECQLCDK2CYP1A2CDK1
SCHEMBL14780097 0.73 CDK2 (0.52) TSHRRECQLCDK2CYP1A2CDK1

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
US-20130072506-A1 6,8-DISUBSTITUTED PURINE COMPOSITIONS ZAHAJSKA LENKA (CZ) 2013-03-21 — — US claimed
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 640/4885CDK2 255/4885

“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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