SCHEMBL16017398

SCHEMBL16017398

CN(c1ccc(NC(=O)c2c(F)cccc2F)cc1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.45
TRPA1 O75762 3/20 0.45
RAB9A P51151 4/20 0.44
CYP1A2 P05177 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
HTT P42858 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR7 Q9NYK1 4/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL14887627 0.94 ITGB1 (0.44) IL2TRPA1RAB9ACYP1A2HTT
SCHEMBL16019825 0.92 SMN1; SMN2 (0.38) IL2TRPA1HTTGAAMAPT
SCHEMBL16017393 0.91 IL2 (0.45) IL2TRPA1RAB9ACYP1A2JAK2
SCHEMBL16017399 0.90 SMN1; SMN2 (0.43) IL2TRPA1RAB9AHTTMEN1
SCHEMBL16019821 0.90 SMN1; SMN2 (0.39) JAK2JAK1TYK2HTTNOD2
SCHEMBL14887640 0.89 RAB9A (0.47) IL2TRPA1RAB9ACYP1A2JAK2
SCHEMBL16017400 0.88 LMNA (0.55) RAB9AHTTMEN1KMT2AMAPT
SCHEMBL16017402 0.87 HDAC6 (0.47) IL2TRPA1RAB9ACYP1A2JAK2
SCHEMBL14887628 0.85 ITGB1 (0.42) IL2TRPA1RAB9ACYP1A2HTT
SCHEMBL14887629 0.83 SNCA (0.39) IL2TRPA1RAB9AHTTGAA

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 2 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

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 3716/4885TRPA1 75/4885RAB9A 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.