SCHEMBL3230622

SCHEMBL3230622

COC(=O)c1cnc(C#N)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
PSMD14 O00487 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL14850502 0.79 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL15886160 0.78 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1MAPTXDH
SCHEMBL880697 0.77 MAPK1 (0.59) MAPK1KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL4128911 0.75 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL14782142 0.75 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL185724 0.75 XDH (0.49) KDM4EALDH1A1POLBXDHHPGD
Hydrochloric Acid SCHEMBL853571 0.75 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL978659 0.75 MAPK1 (0.45) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL15582692 0.74 GAA (0.49) MAPK1KDM4EL3MBTL1ALDH1A1ATM
SCHEMBL6118870 0.74 MAPK1 (0.44) MAPK1KDM4EL3MBTL1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US 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
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO 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 (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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S MAPK1 1479/4885KDM4E 2888/4885L3MBTL1 3101/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 MAPK1 1886/4885KDM4E 2494/4885L3MBTL1 3418/4885

“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.