SCHEMBL16018148

SCHEMBL16018148

Cc1cc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)n(C)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.61
▸ ORAI1 Q96D31 4/20 0.61
▸ ORAI2 Q96SN7 1/20 0.61
▸ IL2 P60568 8/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.31

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
SCHEMBL16018146 0.88 STIM1 (0.59) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018137 0.86 STIM1 (0.48) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14881731 0.85 STIM1 (0.61) STIM1ORAI1ORAI2IL2BACE1
SCHEMBL16018142 0.84 STIM1 (0.63) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018150 0.82 STIM1 (0.62) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL14881319 0.82 STIM1 (0.60) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14881360 0.80 STIM1 (0.61) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018256 0.80 STIM1 (0.59) STIM1ORAI1ORAI2IL2NPC1
SCHEMBL16018238 0.80 STIM1 (0.56) STIM1ORAI1ORAI2IL2RAB9A
SCHEMBL16009833 0.80 STIM1 (0.61) STIM1ORAI1ORAI2IL2RAB9A

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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