SCHEMBL16020537

SCHEMBL16020537

Cn1nc2c(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
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ IL2 P60568 5/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL16020538 0.91 STIM1 (0.47) STIM1ORAI1ORAI2L3MBTL1MAPT
SCHEMBL14885579 0.88 STIM1 (0.47) STIM1ORAI1ORAI2L3MBTL1MAPT
SCHEMBL16018238 0.84 STIM1 (0.56) STIM1ORAI1ORAI2L3MBTL1IL2
SCHEMBL16009833 0.83 STIM1 (0.61) STIM1ORAI1ORAI2MAPTIL2
SCHEMBL16019811 0.82 MAPT (0.38) STIM1ORAI1ORAI2L3MBTL1MAPT
SCHEMBL14881360 0.82 STIM1 (0.61) STIM1ORAI1ORAI2L3MBTL1MAPT
SCHEMBL14881370 0.81 STIM1 (0.56) STIM1ORAI1ORAI2MAPTPOLB
SCHEMBL16020536 0.81 STIM1 (0.48) STIM1ORAI1ORAI2L3MBTL1MAPT
SCHEMBL16018142 0.79 STIM1 (0.63) STIM1ORAI1ORAI2IL2SMN1; SMN2
SCHEMBL16018150 0.79 STIM1 (0.62) STIM1ORAI1ORAI2IL2SMN1; 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-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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