SCHEMBL16636909

SCHEMBL16636909

CC(C)(C)c1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 9/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
HTT P42858 1/20 0.36
NOD2 Q9HC29 1/20 0.36
SCN9A Q15858 3/20 0.36
STIM1 Q13586 2/20 0.35
ORAI1 Q96D31 2/20 0.35
TNF P01375 1/20 0.35
SCN5A Q14524 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 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
SCHEMBL16636715 0.93 IL2 (0.40) IL2MEN1KMT2AJAK2JAK1
SCHEMBL16636723 0.90 NPC1 (0.39) IL2MEN1KMT2AHTTRAB9A
SCHEMBL16636428 0.89 IL2 (0.45) IL2MEN1KMT2AJAK2JAK1
SCHEMBL16636701 0.86 IL2 (0.42) IL2MEN1KMT2AJAK2JAK1
SCHEMBL16636752 0.85 BRD4 (0.36) IL2SCN9ASCN5ARAB9ANPC1
SCHEMBL16637371 0.85 IL2 (0.43) IL2MEN1KMT2ASCN9ASTIM1
SCHEMBL16636769 0.84 IL2 (0.39) IL2MEN1KMT2AJAK2JAK1
SCHEMBL16636863 0.81 IL2 (0.39) IL2SCN9ARAB9ANPC1KDM4E
SCHEMBL16636510 0.81 IL2 (0.37) IL2MEN1KMT2ASCN9ARAB9A
SCHEMBL16636685 0.79 IL2 (0.48) IL2MEN1KMT2AJAK2JAK1

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
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 WO disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 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 (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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885MEN1 2958/4885KMT2A 4706/4885

“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.