SCHEMBL165102

SCHEMBL165102

CCOC(=O)c1nc(Cl)c2sc(C)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
GLP1R P43220 1/20 0.39
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL5851059 0.86 GAA (0.45) KMT2AKDM4EMEN1GLP1RMAPT
SCHEMBL164321 0.84 ALDH1A1 (0.39) KMT2AKDM4ELMNAMEN1GLP1R
SCHEMBL163775 0.79 KMT2A (0.42) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL163783 0.78 MAPT (0.40) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL20771829 0.78 GLP1R (0.44) KDM4ELMNAGLP1RMAPTGAA
SCHEMBL165949 0.73 SMN1; SMN2 (0.44) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL3287907 0.72 KDM4E (0.53) KMT2AKDM4ELMNAMEN1MAPT
SCHEMBL7495667 0.72 KMT2A (0.54) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL164692 0.72 MAPT (0.40) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL164868 0.72 MEN1 (0.40) KMT2AKDM4ELMNAMEN1MAPT

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 KMT2A 1220/4885KDM4E 1605/4885LMNA 4456/4885

“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.