SCHEMBL2686249

SCHEMBL2686249

Nc1nnc(-c2ccnc(Cl)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 3/20 0.58
HSD17B10 Q99714 2/20 0.58
MGAM O43451 4/20 0.56
GAA P10253 4/20 0.56
SI P14410 4/20 0.56
MGAM2 Q2M2H8 4/20 0.56
NOTUM Q6P988 2/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
QPCT Q16769 1/20 0.48
QPCTL Q9NXS2 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL8043402 0.79 CYP19A1 (0.41) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL10284642 0.79 ALDH1A1 (0.58) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL2685703 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL603197 0.74 KDM4E (0.65) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL369633 0.74 KDM4E (1.00) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL4027001 0.72 IDO1 (0.55) CYP19A1
SCHEMBL1143676 0.72 KDM4E (1.00) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL11331186 0.72 KDM4E (0.66) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL11341897 0.71 KDM4E (0.67) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL21408723 0.71 KDM4E (0.66) KDM4EALDH1A1MAPTL3MBTL1HPGD

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
EP-2804610-B1 ORGANIC COMPOUNDS UNIV ROCKEFELLER (US) 2018-10-31 EP disclosed
US-9303044-B2 7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-ones for the treatment of thrombotic disorders THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-04-05 US disclosed
US-9303044-B2 7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-ones for the treatment of thrombotic disorders THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-04-05 US disclosed
US-9303044-B2 7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-5-ones for the treatment of thrombotic disorders THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-04-05 US disclosed
EP-2121687-B1 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-10-14 EP disclosed
US-20150050325-A1 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2015-02-19 US disclosed
US-20150050325-A1 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2015-02-19 US disclosed
US-20150050325-A1 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2015-02-19 US disclosed
EP-2804610-A2 ORGANIC COMPOUNDS The Rockefeller University (US) 2014-11-26 EP disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
WO-2013109632-A2 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2013-07-25 WO disclosed
WO-2013109632-A2 ORGANIC COMPOUNDS THE ROCKEFELLER UNIVERSITY (US) 2013-07-25 WO disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
US-20100093718-A1 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2121687-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS Astex Therapeutics Limited (GB) 2009-11-25 EP disclosed
WO-2008078100-A2 TRICYCLIC AMINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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 (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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A KDM4E 3283/4885ALDH1A1 2340/4885MAPT 4112/4885
US-20150050325-A1 ORGANIC COMPOUNDS VCAM1, ICAM1, PLAT KDM4E 3409/4885ALDH1A1 426/4885MAPT 1501/4885
US-20100093718-A1 Compounds FGFR1, FGFR2, PDGFRB KDM4E 1582/4885ALDH1A1 379/4885MAPT 3238/4885

“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.