SCHEMBL12156302

SCHEMBL12156302

O=C(Nc1ccc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ STIM1 Q13586 3/20 0.45
▸ ORAI1 Q96D31 3/20 0.45
▸ ORAI2 Q96SN7 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ ROCK1 Q13464 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
SCHEMBL12156306 0.92 BRD4 (0.42) IL2SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL12156323 0.88 SMN1; SMN2 (0.58) SMN1; SMN2NPC1ALDH1A1TSHRRAB9A
SCHEMBL12156048 0.88 SMN1; SMN2 (0.52) IL2SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL12156304 0.87 IL2 (0.56) IL2SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL12241381 0.87 STIM1 (0.50) IL2SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL12156309 0.86 STIM1 (0.60) IL2SMN1; SMN2NPC1RAB9ASTIM1
SCHEMBL12155836 0.82 IL2 (0.53) IL2SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL12156239 0.82 IL2 (0.47) IL2SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL12156240 0.82 STIM1 (0.47) IL2SMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL12156326 0.81 NPC1 (0.57) SMN1; SMN2NPC1ALDH1A1TSHRRAB9A

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 IL2 3716/4885SMN1; SMN2 854/4885NPC1 262/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 IL2 3716/4885SMN1; SMN2 854/4885NPC1 262/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885SMN1; SMN2 854/4885NPC1 262/4885

“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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