SCHEMBL12181785

SCHEMBL12181785

Cn1nc(C#N)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 10/20 0.50
TNF P01375 1/20 0.49
STIM1 Q13586 1/20 0.49
ORAI1 Q96D31 1/20 0.49
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
HTT P42858 1/20 0.46
NOD2 Q9HC29 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.42
CHRNA7 P36544 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL12181641 0.86 IL2 (0.37) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL12155607 0.85 IL2 (0.46) IL2STIM1ORAI1MEN1KMT2A
SCHEMBL15171115 0.82 IL2 (0.43) IL2TNFSTIM1ORAI1JAK2
SCHEMBL12181643 0.81 STIM1 (0.52) STIM1ORAI1HTTRAB9ALMNA
SCHEMBL16017415 0.81 MAPT (0.55) IL2TNFSTIM1ORAI1JAK2
SCHEMBL14887778 0.79 IL2 (0.51) IL2TNFSTIM1ORAI1JAK2
SCHEMBL12181666 0.79 SMO (0.52) JAK2TYK2HTTRAB9ALMNA
SCHEMBL10262946 0.79 STIM1 (0.43) IL2TNFSTIM1ORAI1MEN1
SCHEMBL17342688 0.78 IL2 (0.48) IL2TNFSTIM1ORAI1JAK2
SCHEMBL10256710 0.78 STIM1 (0.56) STIM1ORAI1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563759-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2022-04-06 EP disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 US disclosed
WO-2011139765-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 (3 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-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885TNF 4450/4885STIM1 17/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885TNF 4450/4885STIM1 17/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885TNF 4450/4885STIM1 17/4885

“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.