SCHEMBL16482191

SCHEMBL16482191

CCn1nc(-c2nccs2)cc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ SMPD3 Q9NY59 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE11A Q9HCR9 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ SRC P12931 2/20 0.32
▸ SYK P43405 2/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ZAP70 P43403 1/20 0.32
▸ SPHK2 Q9NRA0 1/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSF1 Q00613 1/20 0.31
▸ STIM1 Q13586 2/20 0.31

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
SCHEMBL768868 0.81 SMPD3 (0.42) SMPD3HSP90AA1SRCSYKPDE10A
SCHEMBL24656216 0.79 ADORA3 (0.45) ADORA2AADORA1ADORA3SMPD3PDE11A
SCHEMBL16482533 0.74 SMPD3 (0.33) SMPD3HSP90AA1SYKRAB9A
SCHEMBL20659411 0.68 GAA (0.41) ADORA2AALDH1A1ADORA2B
SCHEMBL13541623 0.66 ADORA3 (0.43) ADORA2AADORA1ADORA3PDE11AHSP90AA1
SCHEMBL16463680 0.65 STIM1 (0.43) ADORA2AADORA1ADORA3KMT2ASYK
SCHEMBL3187006 0.64 ADORA2A (0.31) ADORA2AADORA2B
SCHEMBL21241203 0.64 PDE10A (0.40) ADORA2AADORA1SMPD3HSP90AA1SRC
SCHEMBL723295 0.63 LMNA (0.40) HPGDSTIM1ORAI1
SCHEMBL26639107 0.62 KDM4E (0.44) ADORA2AADORA1SMPD3ALDH1A1KMT2A

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-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS DRAIG THERAPEUTICS LTD (GB) 2024-12-26 — — US disclosed
EP-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 — — EP disclosed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 — — CN disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 — — WO disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2017-02-16 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-9512116-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-12-06 — — US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — US disclosed
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-09-03 — — US disclosed
WO-2014059333-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-04-17 — — WO 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 (3 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-20170044152-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ADORA2A 1775/4885ADORA1 2226/4885ADORA3 2617/4885
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS GABRA5, GABRB3, GABRA3 ADORA2A 236/4885ADORA1 239/4885ADORA3 153/4885
US-20150246909-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ADORA2A 1775/4885ADORA1 2226/4885ADORA3 2617/4885

“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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