SCHEMBL164707

SCHEMBL164707

Fc1ccc(C(F)(F)c2nc(Cl)c3sccc3n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ADORA2A P29274 13/20 0.36
ADORA1 P30542 12/20 0.36
MAPT P10636 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ATM Q13315 1/20 0.33
CASP3 P42574 1/20 0.32

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
SCHEMBL175933 0.86 ADORA2A (0.38) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL163802 0.81 MAPT (0.40) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL162466 0.77 METAP1 (0.38) ADORA2AMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL1368724 0.75 ADORA2A (0.54) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL29991272 0.75 ADORA2A (0.54) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL167094 0.73 PAK1 (0.48)
SCHEMBL162797 0.71 TRPA1 (0.39) MAPTNPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL161422 0.70 GRM5 (0.34)
SCHEMBL158446 0.70 PDE7A (0.33) KMT2ARXFP1
SCHEMBL160464 0.68 ENPP3 (0.41) ALDH1A1

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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 AXL 694/4885MKNK1 269/4885MKNK2 167/4885

“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.