SCHEMBL12241382

SCHEMBL12241382

O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)C3)cn1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.50
▸ ORAI1 Q96D31 1/20 0.50
▸ ORAI2 Q96SN7 1/20 0.50
▸ IL2 P60568 1/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 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
SCHEMBL12155913 0.92 IL2 (0.53) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL17805327 0.89 STIM1 (0.46) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL12241380 0.87 SMN1; SMN2 (0.47) STIM1ORAI1IL2SMN1; SMN2RAB9A
SCHEMBL12241379 0.86 STIM1 (0.66) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL1702092 0.85 STIM1 (0.67) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16572570 0.83 STIM1 (0.54) STIM1ORAI1ORAI2IL2RAB9A
SCHEMBL12155914 0.81 RAB9A (0.47) IL2SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL12241667 0.81 IL2 (0.56) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL12155685 0.79 SMN1; SMN2 (0.51) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL1701029 0.78 IL2 (0.49) STIM1ORAI1ORAI2IL2SMN1; 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-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
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
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 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
US-20200317617-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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