SCHEMBL2002143

SCHEMBL2002143

COc1cc(CNc2ncnc3c2ncn3C2CCCO2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ CCNB2 O95067 1/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ CCNB1 P14635 1/20 0.53
▸ CCNB3 Q8WWL7 1/20 0.53
▸ CYP1A2 P05177 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ CYP2C19 P33261 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.47

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
SCHEMBL3412331 0.93 NPC1 (0.66) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL3414947 0.90 NPC1 (0.70) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL29659573 0.88 YTHDC1 (0.55) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL30410412 0.88 ADORA3 (0.49) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL20547436 0.88 YTHDC1 (0.55) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL20547422 0.87 ADORA3 (0.48) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL29659686 0.87 ADORA3 (0.48) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL2390228 0.86 NPC1 (0.72) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL30410491 0.85 NPC1 (0.52) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL3408388 0.85 NPC1 (0.68) 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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