SCHEMBL4636092

SCHEMBL4636092

O=C(O)c1cnc(C2CCCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HCAR3 P49019 3/20 0.47
KMO O15229 2/20 0.46
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
SRD5A2 P31213 1/20 0.40
P4HA1 P13674 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
XDH P47989 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 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
SCHEMBL1714095 0.90 HCAR3 (0.46) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL27810923 0.81 LMNA (0.41) KDM4EKMT2AHCAR3HSD17B10ALDH1A1
SCHEMBL14811080 0.79 KDM4E (0.37) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL4636166 0.79 MAPK1 (0.45) KDM4EKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1256869 0.78 KDM4E (0.43) KDM4EHCAR3HSD17B10ALDH1A1ALOX15
SCHEMBL27718084 0.77 THRB (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL12791697 0.77 MAPK1 (0.46) KDM4EKMT2ASMN1; SMN2L3MBTL1HSD17B10
SCHEMBL27739189 0.76 ALDH1A1 (0.46) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL4636617 0.76 ATR (0.55) KDM4EHTTSMN1; SMN2ALDH1A1P4HTM
Lithium Ion SCHEMBL30908313 0.76 HCAR3 (0.36) KDM4EGLAHTTKMT2ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101538246-B Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC 2014-07-16 CN disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
CN-101538246-A Pyrimidine amide compounds as pgds inhibitors AVENTIS PHARMA INC 2009-09-23 CN disclosed
CN-101282943-A Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC (US) 2008-10-08 CN disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 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 (1 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S KDM4E 2888/4885GLA 1305/4885HTT 4390/4885

“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.