SCHEMBL2388904

SCHEMBL2388904

c1ncc2[nH]c(C3CCCO3)nc2n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 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
SCHEMBL2002532 0.96 GRIN2B (0.46) GRIN2B
SCHEMBL9854786 0.93 GRIN2B (0.49) GRIN2B
SCHEMBL18167359 0.81 GRIN2B (0.45) GRIN2B
SCHEMBL1378380 0.79 GRIN2B (0.43) GRIN2B
SCHEMBL2951836 0.77 NPC1 (0.41) GRIN2B
SCHEMBL1375990 0.77 METAP2 (0.41) GRIN2B
SCHEMBL4156178 0.77 IRAK4 (0.32) GRIN2B
SCHEMBL19553769 0.77 METAP2 (0.43) GRIN2B
SCHEMBL10600439 0.76 NPC1 (0.43) GRIN2B
Hydrochloric Acid SCHEMBL6821628 0.76 KDM4E (0.42) GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-09-15 US disclosed
US-10662194-B2 Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-05-26 US disclosed
EP-3233860-B1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIV PALACKEHO (CZ) 2020-01-29 EP disclosed
US-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-10-18 US disclosed
EP-3341371-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS Univerzita Palackého V Olomouci (CZ) 2018-07-04 EP disclosed
US-20170342072-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-11-30 US disclosed
WO-2017036434-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-03-09 WO 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
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 (8 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-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS XPA, ERCC4, UNG GRIN2B 4700/4885
US-20100234401-A1 6,9-Disubstituted Purine Derivatives and Their Use For Treating Skin UNG, P2RY6, MPG GRIN2B 4767/4885
US-10662194-B2 Substituted 6-anilino-9-heterocyclylpurine derivatives for inhibition of plant stress TPMT, MTAP, ATIC GRIN2B 3398/4885
US-20110224238-A1 6, 9-Disubstituted Purine Derivatives and Their Use for Treating Skin UNG, P2RY6, MPG GRIN2B 4767/4885
US-20170342072-A1 SUBSTITUTED 6-ANILINO-9-HETEROCYCLYLPURINE DERIVATIVES FOR INHIBITION OF PLANT STRESS TPMT, MTAP, ATIC GRIN2B 3398/4885
US-20130072505-A1 6,9-Disubstituted Purine Derivatives and Their Use for Treating Skin UNG, P2RY6, MPG GRIN2B 4767/4885
US-20080009508-A1 6,9-Disubstituted Purine Derivatives And Their Use For Treating Skin UNG, P2RY6, MPG GRIN2B 4767/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG GRIN2B 4704/4885

“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.