SCHEMBL4282690

SCHEMBL4282690

NC1=NC(c2ccccc2Oc2ccccc2)=CC(N)(c2ccc(Cl)cc2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1I2 O75469 3/20 0.36
HSD11B1 P28845 3/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
BRD4 O60885 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 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
SCHEMBL4280084 0.79 CYP1A2 (0.35) CYP1A2HSD11B1L3MBTL1GAAALDH1A1
SCHEMBL4282266 0.77 HSD11B1 (0.38) HSD11B1L3MBTL1
SCHEMBL4282686 0.74 CYP1A2 (0.39) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL4282527 0.72 HSP90AA1 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL4287050 0.71 AGPAT2 (0.33) CYP1A2CYP3A4CYP2C19GAAALDH1A1
SCHEMBL4284234 0.70 AGPAT2 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL4278355 0.69 AGPAT2 (0.46) NCOA1GAAALDH1A1HPGDTDP1
SCHEMBL2203391 0.60 TSHR (0.58) NCOA1NCOA3BRD4L3MBTL1GAA
SCHEMBL4282002 0.59 HSP90AA1 (0.69) CYP1A2CYP3A4CYP2C9CYP2C19NCOA1
SCHEMBL6406032 0.59 NCOA1 (0.55) NCOA1NCOA3BRD4L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT MAPK13 2932/4885GCGR 3372/4885MAPK12 2930/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT MAPK13 3175/4885GCGR 3192/4885MAPK12 3136/4885

“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.