SCHEMBL19714941

SCHEMBL19714941

COc1nc2c(NCC=C(C)CO)ncnc2n1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.37
▸ CYP2C19 P33261 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33

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
SCHEMBL19714942 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL17847291 0.93 CCNB2 (0.42) NPC1RAB9ASMN1; SMN2SLC29A1CYP2C19
SCHEMBL19714876 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL19714878 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL17847294 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL17847295 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL19714854 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL19714855 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL17847688 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TSHRRECQL
SCHEMBL17847685 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233861-B1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL) PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-04-10 — — EP disclosed
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-10-09 — — US disclosed
US-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2017-12-21 — — 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 (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-20170362236-A1 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS PNP, UNG, NUDT1 NPC1 3580/4885RAB9A 1999/4885SMN1; SMN2 3293/4885
US-10093675-B2 6,8-disubstituted-9-(heterocyclyl)purines, compositions containing these derivatives and their use in cosmetic and medicinal applications PNP, UNG, NUDT1 NPC1 3580/4885RAB9A 1999/4885SMN1; SMN2 3293/4885

“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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