SCHEMBL16636757

SCHEMBL16636757

N#Cc1nn(-c2cc(F)ccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 2/20 0.39
SCN9A Q15858 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RIPK1 Q13546 1/20 0.37
ABL1 P00519 3/20 0.36
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
NTRK1 P04629 1/20 0.36
PRKCG P05129 1/20 0.36

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
SCHEMBL16636674 0.86 IL2 (0.49) IL2NPC1RAB9AALDH1A1PKM
SCHEMBL16636782 0.78 GRM5 (0.41) IL2NPC1RAB9AALDH1A1PKM
SCHEMBL16644119 0.77 PIK3CD (0.44) SCN9AMAPK1ALK
SCHEMBL16636903 0.77 SCN9A (0.50) IL2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16636495 0.72 SCN9A (0.48) IL2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12155607 0.72 IL2 (0.46) IL2NPC1RAB9AALDH1A1PKM
SCHEMBL16637360 0.71 SCN9A (0.47) IL2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12156361 0.69 STIM1 (0.52) IL2NPC1RAB9AALDH1A1PKM
SCHEMBL16636525 0.68 IL2 (0.46) IL2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16636428 0.67 IL2 (0.45) IL2NPC1RAB9AALDH1A1PKM

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-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

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 3716/4885NPC1 262/4885RAB9A 1174/4885

“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.