SCHEMBL16572617

SCHEMBL16572617

Cc1sc2c(c1-c1cnc(NC(=O)c3c(F)cncc3F)cn1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 6/20 0.44
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ FABP4 P15090 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ANO1 Q5XXA6 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL12241327 0.91 IL2 (0.48) IL2STIM1ORAI1ORAI2KDM4E
SCHEMBL12155971 0.87 IL2 (0.39) IL2STIM1ORAI1FABP4FABP5
SCHEMBL12155955 0.85 IL2 (0.39) IL2STIM1ORAI1FABP4FABP5
SCHEMBL16572616 0.84 IL2 (0.40) IL2KDM4EMAPTHTTNPSR1
SCHEMBL12241331 0.84 KMT2A (0.52) FABP4FABP5KDM4EMAPTGAA
SCHEMBL16572600 0.81 IL2 (0.47) IL2STIM1ORAI1ORAI2MAPT
SCHEMBL12241326 0.80 MEN1 (0.53) FABP4FABP5MAPTHTTGAA
SCHEMBL12241332 0.79 MAPT (0.41) FABP4FABP5KDM4EMAPTHTT
SCHEMBL16572614 0.79 IL2 (0.47) IL2STIM1ORAI1ORAI2MAPT
SCHEMBL12155988 0.78 MEN1 (0.43) IL2STIM1ORAI1ORAI2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885

“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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