SCHEMBL2391745

SCHEMBL2391745

COc1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.77
▸ RAB9A P51151 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ CCNB2 O95067 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ CCNB1 P14635 1/20 0.57
▸ CCNB3 Q8WWL7 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CTSL P07711 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ THRB P10828 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CCNE2 O96020 1/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NFKB1 P19838 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
SCHEMBL2390228 0.97 NPC1 (0.72) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL18040444 0.90 NPC1 (0.71) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL2389569 0.89 NPC1 (0.75) NPC1RAB9ASMN1; SMN2CDK1CYP1A2
SCHEMBL3414947 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL3414562 0.87 NPC1 (0.66) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL2002051 0.87 NPC1 (0.81) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL2390486 0.87 NPC1 (0.64) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL218275 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL29366631 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2CCNB2CDK1
SCHEMBL3413857 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043630-B1 6, 9-DISUBSTITUTED PURINE DERIVATIVES FOR COSMETIC USE INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2016-09-07 — — EP disclosed
US-20130072505-A1 6,9-Disubstituted Purine Derivatives and Their Use for Treating Skin SZUCOVA LUCIE (CZ) 2013-03-21 — — US disclosed
US-20110224238-A1 6, 9-Disubstituted Purine Derivatives and Their Use for Treating Skin SZUCOVA LUCIE 2011-09-15 — — US disclosed
US-20100234401-A1 6,9-Disubstituted Purine Derivatives and Their Use For Treating Skin SZUCOVA LUCIE 2010-09-16 — — US disclosed
EP-2043630-A2 6, 9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE FOR TREATING SKIN Institute of Experimental Botany, Academy of Sciences of the Czech Republic (CZ) 2009-04-08 — — EP disclosed
WO-2008008770-A2 6, 9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE FOR TREATING SKIN INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2008-01-17 — — WO disclosed
US-20080009508-A1 6,9-Disubstituted Purine Derivatives And Their Use For Treating Skin INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2008-01-10 — — 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 (4 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-20100234401-A1 6,9-Disubstituted Purine Derivatives and Their Use For Treating Skin UNG, P2RY6, MPG NPC1 3196/4885RAB9A 1395/4885SMN1; SMN2 3167/4885
US-20110224238-A1 6, 9-Disubstituted Purine Derivatives and Their Use for Treating Skin UNG, P2RY6, MPG NPC1 3196/4885RAB9A 1395/4885SMN1; SMN2 3167/4885
US-20130072505-A1 6,9-Disubstituted Purine Derivatives and Their Use for Treating Skin UNG, P2RY6, MPG NPC1 3196/4885RAB9A 1395/4885SMN1; SMN2 3167/4885
US-20080009508-A1 6,9-Disubstituted Purine Derivatives And Their Use For Treating Skin UNG, P2RY6, MPG NPC1 3196/4885RAB9A 1395/4885SMN1; SMN2 3167/4885

“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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