SCHEMBL163783

SCHEMBL163783

CCOC(=O)c1nc(Cl)c2cc(C)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
IKBKB O14920 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
NPSR1 Q6W5P4 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 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
SCHEMBL31045214 0.86 KDM4E (0.38) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1966304 0.84 HSD17B10 (0.40) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL31044993 0.82 CSNK2A2 (0.35) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL29991602 0.80 POLB (0.42) KDM4ESMN1; SMN2ALDH1A1IKBKBMAPK1
SCHEMBL655312 0.80 KDM4E (0.52) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL164838 0.79 MAPT (0.45) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL165102 0.78 KMT2A (0.41) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL12533457 0.78 CDC7 (0.43) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL29120717 0.75 KDM4E (0.45) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL28983727 0.75 KDM4E (0.43) MAPTKDM4EHPGDSMN1; SMN2ALDH1A1

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 MAPT 2618/4885KDM4E 1605/4885HPGD 769/4885

“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.