SCHEMBL5962387

SCHEMBL5962387

CC(C)Sc1nncn1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 8/20 0.50
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL10403528 0.79 CBLB (0.44) CBLBALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL10401904 0.79 CBLB (0.44) CBLBALDH1A1ALOX15HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9098101 0.70 ALDH1A1 (0.43) CBLBALDH1A1HSD17B10NPC1RAB9A
SCHEMBL21200000 0.69 CBLB (0.67) CBLB
SCHEMBL21200350 0.69 CBLB (0.59) CBLB
SCHEMBL21200405 0.69 CBLB (0.67) CBLB
SCHEMBL21199997 0.69 CBLB (0.67) CBLB
SCHEMBL21212630 0.69 CBLB (1.00) CBLB
SCHEMBL21200726 0.69 CBLB (1.00) CBLB
SCHEMBL5129869 0.68 ALDH1A1 (0.78) CBLBALDH1A1ALOX15HSD17B10SMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-9079890-B2 Intermediates for the preparation of pyridin-2-yl-amino-1,2,4-thiadiazole derivatives ARRAY BIOPHARMA INC. (US) 2015-07-14 US disclosed
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES ARRAY BIOPHARMA, INC. 2015-02-26 US disclosed
US-8853409-B2 Pyridin-2yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA INC. (US) 2014-10-07 US disclosed
US-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 US disclosed
US-8362037-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-01-29 US disclosed
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA, INC. (US) 2012-11-01 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA INC. (US) 2010-08-12 US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 US disclosed
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2010-03-04 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (10 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD CBLB 4360/4885ALDH1A1 269/4885ALOX15 4110/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 CBLB 3424/4885ALDH1A1 786/4885ALOX15 4541/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 CBLB 3505/4885ALDH1A1 320/4885ALOX15 4247/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 CBLB 3697/4885ALDH1A1 682/4885ALOX15 4362/4885
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK CBLB 3446/4885ALDH1A1 1019/4885ALOX15 1836/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CBLB 4331/4885ALDH1A1 1205/4885ALOX15 2893/4885
US-20150057448-A1 INTERMEDIATES FOR THE PREPARATION OF PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES PDXK, IL4I1, CDK2 CBLB 1794/4885ALDH1A1 337/4885ALOX15 2410/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 CBLB 2095/4885ALDH1A1 764/4885ALOX15 1002/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 CBLB 3365/4885ALDH1A1 750/4885ALOX15 4301/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK CBLB 3159/4885ALDH1A1 1121/4885ALOX15 1924/4885

“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.