SCHEMBL1255865

SCHEMBL1255865

c1coc(CCc2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL7471622 0.89 ALDH1A1 (0.46) LOXL2LMNAKDM4EMAPK1HTT
SCHEMBL719865 0.81 L3MBTL1 (0.46) ALDH1A1CYP3A4USP2TDP1ALOX15
SCHEMBL8146532 0.80 ALDH1A1 (0.54) KDM4EALDH1A1CYP3A4USP2TDP1
SCHEMBL9376259 0.76 GFER (0.56) LOXL2HTTALDH1A1CYP3A4USP2
SCHEMBL21622787 0.76 RAB9A (0.44) KDM4EMAPK1ALDH1A1CYP3A4USP2
SCHEMBL1711865 0.76 ALDH1A1 (0.44) KDM4EHTTALDH1A1CYP3A4USP2
SCHEMBL510357 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4USP2TDP1ALOX15
SCHEMBL21622784 0.76 ALDH1A1 (0.55) LMNAKDM4EMAPK1HTTALDH1A1
SCHEMBL7471615 0.76 LMNA (0.38) LMNAKDM4EMAPK1HTTALDH1A1
SCHEMBL27881714 0.76 MEN1 (0.65) LMNAKDM4EMAPK1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889718-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-11-18 US disclosed
US-20130267509-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-10-10 US disclosed
US-8420827-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-04-16 US disclosed
US-20110105486-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-05 US disclosed
US-7880013-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-01 US disclosed
US-20100256361-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-7718808-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-05-18 US disclosed
CN-101268064-A Pyrazine derivatives useful as adenosine receptor antagonists ALMIRALL LAB (ES) 2008-09-17 CN disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
EP-1700856-A1 THIAZOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-13 EP disclosed
EP-0687267-B1 PYRROLO-PYRIDINE DERIVATIVES AS LIGANDS OF DOPAMINE RECEPTOR MERCK SHARP & DOHME (GB) 1999-09-01 EP disclosed
US-5700809-A Pyrrolo-pyridine derivatives MERCK SHARP & DOHME, LTD. (GB) 1997-12-23 US disclosed
US-5576336-A Indole derivatives as dopamine D4 antagonists MERCK SHARP & DOHME LIMITED (GB) 1996-11-19 US disclosed
EP-0687267-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-12-20 EP disclosed
WO-1994021627-A1 INDOLE DERIVATIVES AS DOPAMINE D4 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed
WO-1994020459-A2 PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 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 (4 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-20130267509-A1 THIAZOLE DERIVATIVES THRA, CHD8, CYP2C8 LOXL2 264/4885LMNA 1862/4885KDM4E 4495/4885
US-20110105486-A1 THIAZOLE DERIVATIVES CHD8, CYP2C8, THRA LOXL2 132/4885LMNA 2022/4885KDM4E 4497/4885
US-20100256361-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, ADORA1 LOXL2 937/4885LMNA 3679/4885KDM4E 4728/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 LOXL2 2812/4885LMNA 2878/4885KDM4E 4715/4885

“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.