SCHEMBL2003798

SCHEMBL2003798

Oc1ccc(CNc2ncnc3c2ncn3C2CCCO2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.76
▸ RAB9A P51151 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ CCNB2 O95067 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNB3 Q8WWL7 1/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TP53 P04637 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ PI4KA P42356 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL2002051 0.97 NPC1 (0.81) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL2001406 0.88 NPC1 (0.74) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL2390228 0.87 NPC1 (0.72) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL29366631 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL218275 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL1994149 0.85 NPC1 (0.79) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL30411160 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2CDK1CYP1A2
SCHEMBL20547488 0.85 YTHDC1 (0.60) NPC1RAB9ASMN1; SMN2CDK1HPGD
SCHEMBL2002143 0.85 NPC1 (0.64) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL2391745 0.84 NPC1 (0.77) NPC1RAB9ASMN1; SMN2CCNB2CDK1

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 NPC1 3155/4885RAB9A 852/4885SMN1; SMN2 3639/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP NPC1 3155/4885RAB9A 852/4885SMN1; SMN2 3639/4885

“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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