SCHEMBL12156309

SCHEMBL12156309

O=C(Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1)c1c(F)cccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.60
▸ ORAI1 Q96D31 1/20 0.60
▸ ORAI2 Q96SN7 1/20 0.60
▸ IL2 P60568 11/20 0.51
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38

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
SCHEMBL12156316 0.91 STIM1 (0.49) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL12155685 0.89 SMN1; SMN2 (0.51) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL17244772 0.88 STIM1 (0.59) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12156313 0.88 IL2 (0.60) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12241379 0.87 STIM1 (0.66) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12156302 0.86 IL2 (0.47) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12156244 0.82 STIM1 (0.61) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12156242 0.82 STIM1 (0.61) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12155682 0.82 STIM1 (0.52) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL12155650 0.81 STIM1 (0.68) STIM1ORAI1ORAI2IL2MEN1

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 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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