SCHEMBL12155563

SCHEMBL12155563

COc1cccc(-c2cc(-c3ccc(NC(=O)c4ccccc4Cl)nc3)n(C)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CTSA P10619 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ STIM1 Q13586 1/20 0.41

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
SCHEMBL12155522 0.89 STIM1 (0.54) DYRK1AGSK3BGAAMAPTMEN1
SCHEMBL12156004 0.89 SMN1; SMN2 (0.52) DYRK1AGSK3BGAAMEN1KMT2A
SCHEMBL12156017 0.84 RAB9A (0.47) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12155529 0.82 RAB9A (0.52) DYRK1AGSK3BGAAMEN1KMT2A
SCHEMBL12156016 0.81 GRM5 (0.46) MAPTRAB9ASTIM1ORAI1
SCHEMBL12155543 0.81 STIM1 (0.56) DYRK1AGSK3BGAAMEN1KMT2A
SCHEMBL12155524 0.80 KDM4E (0.52) DYRK1AGSK3BGAAMAPTMEN1
SCHEMBL12155645 0.78 DYRK1A (0.49) DYRK1AGSK3BGAAMEN1KMT2A
SCHEMBL12156172 0.78 STIM1 (0.53) DYRK1AGSK3BGAAMEN1KMT2A
SCHEMBL12155567 0.78 DYRK1A (0.49) DYRK1AGSK3BGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DYRK1A 3712/4885GSK3B 1346/4885GAA 994/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 DYRK1A 3712/4885GSK3B 1346/4885GAA 994/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DYRK1A 3712/4885GSK3B 1346/4885GAA 994/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DYRK1A 3712/4885GSK3B 1346/4885GAA 994/4885

“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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