SCHEMBL14240568

SCHEMBL14240568

Cc1cc2c(cc1-c1ccc(NCc3ccccc3F)nc1)CC(F)(F)C2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.61
▸ ORAI1 Q96D31 5/20 0.61
▸ BDKRB1 P46663 12/20 0.40
▸ PFKFB3 Q16875 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL14225965 0.88 STIM1 (0.53) STIM1ORAI1BDKRB1NPC1PKM
SCHEMBL14225966 0.84 STIM1 (0.57) STIM1ORAI1BDKRB1PFKFB3
SCHEMBL14225942 0.82 STIM1 (0.79) STIM1ORAI1BDKRB1
SCHEMBL14225936 0.81 STIM1 (0.79) STIM1ORAI1BDKRB1PFKFB3NPC1
SCHEMBL14226014 0.81 STIM1 (0.79) STIM1ORAI1BDKRB1PFKFB3
SCHEMBL12156303 0.78 NPC1 (0.58) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL14225895 0.77 STIM1 (0.51) STIM1ORAI1BDKRB1PFKFB3SMN1; SMN2
SCHEMBL12156304 0.77 IL2 (0.56) STIM1ORAI1NPC1PKMRAB9A
SCHEMBL14225993 0.76 STIM1 (1.00) STIM1ORAI1BDKRB1
SCHEMBL12156307 0.74 ABL1 (0.53) STIM1ORAI1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — 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-20120316182-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885BDKRB1 3376/4885

“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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