SCHEMBL16018238

SCHEMBL16018238

Cn1cc2c(c1C(=O)Nc1cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn1)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.56
▸ ORAI1 Q96D31 5/20 0.56
▸ ORAI2 Q96SN7 1/20 0.56
▸ IL2 P60568 5/20 0.33
▸ LCK P06239 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16018242 0.91 STIM1 (0.47) STIM1ORAI1ORAI2IL2LCK
SCHEMBL16018211 0.88 STIM1 (0.47) STIM1ORAI1ORAI2LCKKDR
SCHEMBL16018142 0.85 STIM1 (0.63) STIM1ORAI1ORAI2IL2RAB9A
SCHEMBL16020537 0.84 STIM1 (0.56) STIM1ORAI1ORAI2IL2LCK
SCHEMBL16017283 0.81 RAB9A (0.37) STIM1ORAI1ORAI2LCKKDR
SCHEMBL16018150 0.81 STIM1 (0.62) STIM1ORAI1ORAI2IL2LCK
SCHEMBL16018240 0.81 STIM1 (0.48) STIM1ORAI1ORAI2IL2LCK
SCHEMBL16018148 0.80 STIM1 (0.61) STIM1ORAI1ORAI2IL2LCK
SCHEMBL14881360 0.80 STIM1 (0.61) STIM1ORAI1ORAI2RAB9ASMN1; SMN2
SCHEMBL16018154 0.78 STIM1 (0.54) STIM1ORAI1ORAI2IL2

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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