SCHEMBL12156308

SCHEMBL12156308

Cc1cc2c(cc1-c1cnc(NC(=O)C(C)C)cn1)CC(F)(F)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.41
▸ ABL1 P00519 4/20 0.40
▸ RAB9A P51151 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IL2 P60568 5/20 0.38
▸ TSHR P16473 1/20 0.38
▸ STIM1 Q13586 2/20 0.36
▸ ORAI1 Q96D31 2/20 0.36
▸ ORAI2 Q96SN7 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TP53 P04637 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
SCHEMBL12156312 0.87 STIM1 (0.41) MAP4K1ABL1RAB9ANPC1SMN1; SMN2
SCHEMBL12156307 0.83 ABL1 (0.53) MAP4K1ABL1RAB9ANPC1SMN1; SMN2
SCHEMBL12241730 0.83 ABL1 (0.38) MAP4K1ABL1RAB9ANPC1SMN1; SMN2
SCHEMBL12156305 0.81 IL2 (0.54) MAP4K1ABL1IL2STIM1ORAI1
SCHEMBL12156315 0.81 NPC1 (0.50) RAB9ANPC1SMN1; SMN2IL2STIM1
SCHEMBL12156313 0.80 IL2 (0.60) RAB9ANPC1IL2STIM1ORAI1
SCHEMBL12156320 0.79 SMN1; SMN2 (0.51) ABL1RAB9ANPC1SMN1; SMN2IL2
SCHEMBL12241633 0.77 STIM1 (0.42) MAP4K1ABL1RAB9ANPC1SMN1; SMN2
SCHEMBL12241636 0.77 STIM1 (0.42) MAP4K1ABL1RAB9ANPC1SMN1; SMN2
SCHEMBL12155947 0.77 ABL1 (0.41) MAP4K1ABL1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAP4K1 1888/4885ABL1 4066/4885RAB9A 1174/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 MAP4K1 1888/4885ABL1 4066/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAP4K1 1888/4885ABL1 4066/4885RAB9A 1174/4885

“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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