SCHEMBL567443

SCHEMBL567443

c1ccc(-c2csc3nccn23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.71
KDR P35968 4/20 0.50
CHEK1 O14757 2/20 0.50
MAP4K4 O95819 1/20 0.50
CSF1R P07333 1/20 0.50
PRKACA P17612 1/20 0.50
CDK8 P49336 1/20 0.50
MAP2K1 Q02750 1/20 0.50
ACVR1 Q04771 1/20 0.50
MAP4K2 Q12851 1/20 0.50
ROCK1 Q13464 1/20 0.50
DYRK1A Q13627 1/20 0.50
AURKB Q96GD4 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3085669 0.83 IDO1 (0.71) IDO1MAP4K4KDM4EALDH1A1SMN1; SMN2
SCHEMBL5982431 0.70 BRD4 (0.42) IDO1BRD4KDM4ETSHRHSD17B10
SCHEMBL12670528 0.67
SCHEMBL5313030 0.67
SCHEMBL17248112 0.67 IDO1 (0.44) IDO1SMN1; SMN2
SCHEMBL268709 0.67 IDO1 (0.44) IDO1CHEK1DYRK1AKDM4EL3MBTL1
SCHEMBL4769715 0.66 IDO1 (0.47) IDO1BRD4KDM4ETSHRHSD17B10
SCHEMBL25077602 0.65 ALDH1A1 (0.45) BRD4KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL12145232 0.65 PTAFR (0.58) KDRCHEK1MAP4K4CSF1RPRKACA
SCHEMBL20893092 0.65 CDK2 (0.40) IDO1KDRCHEK1MAP4K4CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697065-B2 Non-natural ribonuclease conjugates as cytotoxic agents QUINTESSENCE BIOSCIENCES, INC. (US) 2014-04-15 US disclosed
US-8143232-B2 Gene fusion targeted therapy THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-27 US disclosed
US-20120035244-A1 PARP1 TARGETED THERAPY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-09 US disclosed
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 US disclosed
WO-2011103028-A2 COMPOSITIONS AND METHODS FOR INHIBITING MMSET THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
WO-2011103011-A2 GENE FUSION TARGETED THERAPY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
WO-2011103016-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 WO disclosed
US-7910621-B2 Small molecule antagonists of XIAP family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-22 US disclosed
US-20110020434-A1 NANOPARTICLE ARSENIC-PLATINUM COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-27 US disclosed
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-01-24 US disclosed
US-4584305-A Aiding the regression of neoplastic disease with 2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazole JANSSEN PHARMACEUTICA N.V. (BE) 1986-04-22 US disclosed
US-3878222-A METHODS OF PREPARING SUBSTITUTED IMIDAZOTHIAZOLIUM COMPOUNDS AMERICAN CYANAMID CO 1975-04-15 US 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 (3 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-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 IDO1 4170/4885KDR 3930/4885CHEK1 2721/4885
US-20080021095-A1 Small Molecule Antagonists of Xiap Family Proteins XIAP, BIRC5, BIRC3 IDO1 2306/4885KDR 4312/4885CHEK1 1548/4885
US-20120035244-A1 PARP1 TARGETED THERAPY PARP1, PARP11, PARP12 IDO1 3459/4885KDR 716/4885CHEK1 77/4885

“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.