SCHEMBL16009833

SCHEMBL16009833

Cc1nn(C)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.61
▸ ORAI1 Q96D31 4/20 0.61
▸ ORAI2 Q96SN7 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ IL2 P60568 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ ALPL P05186 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL16010208 0.93 STIM1 (0.54) STIM1ORAI1ORAI2KDM4ELMNA
SCHEMBL14881370 0.88 STIM1 (0.56) STIM1ORAI1ORAI2LMNASMN1; SMN2
SCHEMBL14885566 0.87 STIM1 (0.50) STIM1ORAI1ORAI2KDM4ELMNA
SCHEMBL14881360 0.85 STIM1 (0.61) STIM1ORAI1ORAI2KDM4ELMNA
SCHEMBL16018142 0.85 STIM1 (0.63) STIM1ORAI1ORAI2SMN1; SMN2RAB9A
SCHEMBL14881731 0.84 STIM1 (0.61) STIM1ORAI1ORAI2KMT2AIL2
SCHEMBL16020537 0.83 STIM1 (0.56) STIM1ORAI1ORAI2KDM4ELMNA
SCHEMBL16018150 0.83 STIM1 (0.62) STIM1ORAI1ORAI2SMN1; SMN2RAB9A
SCHEMBL16010393 0.82 STIM1 (0.51) STIM1ORAI1ORAI2SMN1; SMN2KMT2A
SCHEMBL16018224 0.81 STIM1 (0.50) STIM1ORAI1ORAI2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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 (1 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-20140256745-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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