SCHEMBL1145875

SCHEMBL1145875

[CH2]OCc1ccnc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.57
LOXL2 Q9Y4K0 2/20 0.57
RECQL P46063 1/20 0.57
LOXL3 P58215 1/20 0.57
GRM5 P41594 2/20 0.49
MGMT P16455 1/20 0.42
TRPA1 O75762 1/20 0.35
EPHX1 P07099 1/20 0.35
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR1 O14842 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL10157517 0.83 LOXL2 (0.61) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL4384499 0.80 LOX (0.62) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL1145877 0.80 LOX (0.57) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL27750053 0.78 LOXL2 (0.59) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL2092329 0.77
SCHEMBL23860789 0.76 TSHR (0.54) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL3370181 0.76 GRM5 (0.52) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL4024225 0.74 LOX (0.50) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL6968674 0.74 TACR1 (0.36) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL1503624 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 LOX 1772/4885LOXL2 3317/4885RECQL 4594/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 LOX 3007/4885LOXL2 4172/4885RECQL 2173/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 LOX 3351/4885LOXL2 4394/4885RECQL 2375/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR LOX 2945/4885LOXL2 4447/4885RECQL 3216/4885

“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.