SCHEMBL16018142

SCHEMBL16018142

Cc1cn(C)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.63
▸ ORAI1 Q96D31 5/20 0.63
▸ ORAI2 Q96SN7 1/20 0.63
▸ IL2 P60568 9/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAP3K5 Q99683 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PTGER3 P43115 1/20 0.32

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
SCHEMBL16018154 0.93 STIM1 (0.54) STIM1ORAI1ORAI2IL2MAP3K5
SCHEMBL16018147 0.87 STIM1 (0.50) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16009833 0.85 STIM1 (0.61) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16018238 0.85 STIM1 (0.56) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16018150 0.85 STIM1 (0.62) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16018148 0.84 STIM1 (0.61) STIM1ORAI1ORAI2IL2MAP3K5
SCHEMBL14881360 0.83 STIM1 (0.61) STIM1ORAI1ORAI2SMN1; SMN2NPC1
SCHEMBL16018191 0.82 STIM1 (0.51) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16018153 0.81 STIM1 (0.58) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL14881319 0.81 STIM1 (0.60) STIM1ORAI1ORAI2SMN1; SMN2NPC1

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 2 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-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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