SCHEMBL12155955

SCHEMBL12155955

O=C(Nc1cnc(-c2c(C(F)(F)F)sc3c2CCCC3)cn1)c1c(F)cncc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 1/20 0.39
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ANO1 Q5XXA6 9/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ FABP4 P15090 3/20 0.36
▸ FABP5 Q01469 3/20 0.36
▸ ANO2 Q9NQ90 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
SCHEMBL12155971 0.98 IL2 (0.39) IL2STIM1ORAI1ANO1KDM4E
SCHEMBL12155969 0.91 MEN1 (0.43) IL2STIM1ORAI1ANO1KDM4E
SCHEMBL12155988 0.89 MEN1 (0.43) IL2STIM1ORAI1ANO1KDM4E
SCHEMBL16572593 0.85 KDM4E (0.39) STIM1ORAI1ANO1KDM4EALDH1A1
SCHEMBL16572617 0.85 IL2 (0.44) IL2STIM1ORAI1ANO1KDM4E
SCHEMBL12241337 0.85 SMN1; SMN2 (0.48) ANO1KDM4EALDH1A1LMNAFABP4
SCHEMBL12155976 0.83 KDM4E (0.38) IL2STIM1ORAI1ANO1KDM4E
SCHEMBL12155990 0.83 KMT2A (0.49) KDM4EALDH1A1LMNAFABP4FABP5
SCHEMBL12241336 0.81 ALDH1A1 (0.41) KDM4EALDH1A1FABP4FABP5
SCHEMBL12241338 0.81 FLT3 (0.47) ANO1KDM4EALDH1A1LMNAFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP 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
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — 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 (2 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
US-20200317617-A1 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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