SCHEMBL4636166

SCHEMBL4636166

COC(=O)c1cnc(C2CCCCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
EPHX2 P34913 1/20 0.42
OPRK1 P41145 2/20 0.42
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL12791697 0.98 MAPK1 (0.46) MAPK1CYP2C19MEN1CYP1A2CYP2D6
SCHEMBL25953861 0.91 MAPK1 (0.49) MAPK1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL24933715 0.91 MAPK1 (0.49) MAPK1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL27810918 0.84 ALDH1A1 (0.45) MAPK1KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL30908404 0.84 MAPK1 (0.42) MAPK1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL64188 0.84 PLAT (0.43) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL63803 0.83 MAPK1 (0.41) MAPK1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL20400835 0.80 MAPK1 (0.53) MAPK1CYP2C19MEN1CYP1A2CYP2D6
SCHEMBL4636092 0.79 KDM4E (0.49) KMT2AKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2636813 0.78 MAPK1 (0.41) MAPK1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK1 1479/4885CYP2C19 198/4885MEN1 4523/4885

“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.