SCHEMBL2001785

SCHEMBL2001785

Oc1ccc(CNc2ncnc3c2ncn3CCCCCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 6/20 0.60
▸ CCNB2 O95067 5/20 0.60
▸ CCNB1 P14635 5/20 0.60
▸ CCNB3 Q8WWL7 5/20 0.60
▸ TMIGD3 P0DMS9 3/20 0.58
▸ ADORA2A P29274 3/20 0.58
▸ ADORA1 P30542 3/20 0.58
▸ RAB9A P51151 2/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPC1 O15118 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CTSL P07711 3/20 0.48
▸ HTT P42858 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ CDK2 P24941 1/20 0.45

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
SCHEMBL2006199 0.81 TMIGD3 (0.60) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL15167431 0.77 HTT (0.67) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL28068467 0.76 TMIGD3 (0.77) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL17933852 0.74 ADORA2A (0.74) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL91115 0.73 CDK1 (0.55) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL27734468 0.73 TMIGD3 (1.00) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL458946 0.73 TMIGD3 (0.77) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL21348733 0.71 TMIGD3 (0.58) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL22571186 0.70 TMIGD3 (0.81) CDK1CCNB2CCNB1CCNB3TMIGD3
SCHEMBL27967736 0.70 RAB9A (0.70) CDK1CCNB2CCNB1CCNB3TMIGD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 — — EP disclosed
US-8575182-B2 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) 2013-11-05 — — US disclosed
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2011-09-22 — — US disclosed
US-7960397-B2 6,9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2011-06-14 — — US disclosed
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2009-07-02 — — 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 (2 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-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP CDK1 1801/4885CCNB2 2912/4885CCNB1 2876/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP CDK1 1801/4885CCNB2 2912/4885CCNB1 2876/4885

“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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