SCHEMBL4437239

SCHEMBL4437239

CNC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.68
PLOD2 O00469 2/20 0.59
PLOD3 O60568 2/20 0.59
PLOD1 Q02809 2/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
KDM1A O60341 1/20 0.55
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
PRKDC P78527 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL13702428 0.86 MEN1 (0.66) KMOMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14697008 0.85 KMO (0.68) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL10154055 0.85 MEN1 (0.64) KMOMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13701658 0.85 KMO (0.63) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL13702120 0.85 KMO (0.63) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL13702280 0.85 KMO (0.63) KMOPLOD2PLOD3PLOD1MAPT
SCHEMBL13247636 0.84 PLOD2 (0.60) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL13724478 0.83 KMO (0.74) KMOPLOD2PLOD3PLOD1MEN1
SCHEMBL10153966 0.83 MAPT (0.64) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6263784 0.82 KAT6A (0.60) MEN1KMT2AHTTALDH1A1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP disclosed
CN-105246884-A Urea derivatives useful as kinase inhibitors RESPIVERT LTD 2016-01-13 CN disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
EP-2134689-A2 INHIBITORS OF FOCAL ADHESION KINASE The Scripps Research Institute (US) 2009-12-23 EP disclosed
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 WO disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 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 (2 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX KMO 838/4885PLOD2 348/4885PLOD3 205/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA KMO 913/4885PLOD2 2466/4885PLOD3 2328/4885

“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.