SCHEMBL14887579

SCHEMBL14887579

Cc1nn(C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 4/20 0.47
▸ RAB9A P51151 5/20 0.46
▸ TNF P01375 1/20 0.46
▸ STIM1 Q13586 1/20 0.46
▸ ORAI1 Q96D31 1/20 0.46
▸ CRACR2A Q9BSW2 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TRPA1 O75762 1/20 0.43

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
SCHEMBL16019816 0.90 MAOA (0.44) RAB9ASTIM1ORAI1MAOAMAOB
SCHEMBL14887585 0.88 PTPRC (0.53) RAB9AHTTNPC1TP53SMN1; SMN2
SCHEMBL14887416 0.85 TP53 (0.45) IL2RAB9ATNFSTIM1ORAI1
SCHEMBL14887587 0.85 CRACR2A (0.48) IL2RAB9ATNFSTIM1ORAI1
SCHEMBL16017325 0.84 MEN1 (0.50) RAB9ACRACR2ATYK2NPC1TP53
SCHEMBL14887595 0.84 ATR (0.45) IL2RAB9ATNFSTIM1ORAI1
SCHEMBL16017251 0.82 GRM4 (0.51) RAB9AMAOAMAOBNPC1TP53
SCHEMBL16017323 0.82 CYP1A2 (0.46) IL2TNFSTIM1ORAI1CRACR2A
SCHEMBL14887518 0.81 ATR (0.45) IL2TNFSTIM1ORAI1HTT
SCHEMBL14887516 0.81 NAMPT (0.51) RAB9ASTIM1ORAI1CRACR2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885RAB9A 1174/4885TNF 4450/4885

“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.

Send feedback