SCHEMBL1979314

SCHEMBL1979314

CCc1cc2[nH]ncc2cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.46
CHEK1 O14757 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 2/20 0.38
MAPK1 P28482 1/20 0.37
AXL P30530 1/20 0.37
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 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
SCHEMBL11574647 0.81 TRPA1 (0.54) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL24455226 0.81 TRPA1 (0.54) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL1981130 0.80 TRPA1 (0.49) TRPA1CHEK1KDM4EAXLFGFR1
SCHEMBL17120530 0.76 TRPA1 (0.50) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL182534 0.75 TRPA1 (0.49) TRPA1CHEK1KDM4EFGFR1ALDH1A1
SCHEMBL21901141 0.75 CHEK1 (0.63) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL27445825 0.75 TRPA1 (0.52) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL1981821 0.75 TRPA1 (0.48) TRPA1CHEK1KDM4EFGFR1ALDH1A1
SCHEMBL30932812 0.75 TRPA1 (0.48) TRPA1CHEK1KDM4EMAPK1AXL
SCHEMBL1979569 0.74 AXL (0.59) TRPA1CHEK1KDM4EAXLCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
US-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO WELLCOME HOUSE (GB) 2012-11-08 US disclosed
EP-2513095-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-10-24 EP disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 WO disclosed
WO-2011072488-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-06-23 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-20120283297-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 TRPA1 1575/4885CHEK1 2125/4885KDM4E 4290/4885

“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.