SCHEMBL14885682

SCHEMBL14885682

CCc1noc(C)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 2/20 0.64
▸ ORAI1 Q96D31 2/20 0.64
▸ ORAI2 Q96SN7 1/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14885677 0.91 STIM1 (0.61) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL16020542 0.91 STIM1 (0.54) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL14881300 0.89 STIM1 (0.68) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL14885666 0.87 STIM1 (0.50) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL16018200 0.85 STIM1 (0.64) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL16018217 0.84 STIM1 (0.65) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL14881328 0.83 STIM1 (0.62) STIM1ORAI1ORAI2SMN1; SMN2GAA
SCHEMBL14885676 0.83 STIM1 (0.53) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL16019817 0.81 SMN1; SMN2 (0.50) STIM1ORAI1ORAI2SMN1; SMN2LMNA
SCHEMBL16018198 0.81 STIM1 (0.70) STIM1ORAI1ORAI2ALDH1A1RAB9A

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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
WO-2013059677-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — WO 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.

Send feedback