SCHEMBL163400

SCHEMBL163400

COc1nc(C(=O)c2ccc(F)cc2)nc2cscc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
NQO2 P16083 1/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK1 P28482 1/20 0.36
KDR P35968 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LTA4H P09960 1/20 0.36
AURKA O14965 1/20 0.35
RAB9A P51151 3/20 0.35
SCD O00767 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
SCHEMBL166676 0.82 LTA4H (0.40) PDE10AMAPTKMT2AMEN1KDM4E
SCHEMBL175237 0.73 AURKA (0.64) ADORA3AURKA
SCHEMBL17716230 0.66 KMT2A (0.64) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL164593 0.63 GRM2 (0.47) KMT2AMEN1KDM4EHTTLMNA
SCHEMBL17690322 0.63 KMT2A (0.53) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL164944 0.63 AURKA (0.41) PDE10AMAPTKMT2AMEN1KDM4E
SCHEMBL159829 0.63 KDM4E (0.53) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL164973 0.63 DHODH (0.41) PDE10ANQO2KMT2AMEN1KDM4E
SCHEMBL164536 0.63 NPC1 (0.49) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL4924580 0.62 VNN1 (0.47) PDE10AKDM4ENPC1LMNAALDH1A1

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 PDE10A 2603/4885NQO2 2140/4885MAPT 2618/4885

“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.