SCHEMBL6613628

SCHEMBL6613628

CN(C)c1ccc(CNC(=O)c2cncnc2OC2=COC(Cc3ccccc3)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CSF1R P07333 1/20 0.37
TARBP2 Q15633 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6804130 0.89 MAPK8 (0.40) MAPK8MAPTMMP13
SCHEMBL6613045 0.88 MAPK8 (0.38) MAPK8HPGDTP53MMP13
SCHEMBL6615502 0.88 MAPK8 (0.38) MAPK8ALDH1A1MAPTMAPK1MMP13
SCHEMBL6613930 0.86 CA2 (0.45) ALDH1A1KDM4EALOX15HSD17B10TDP1
SCHEMBL6615388 0.83 MAPK8 (0.47) MAPK8ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6611902 0.81 GPBAR1 (0.34) MAPK8KDM4E
SCHEMBL6610664 0.78 AKR1B1 (0.35) MAPK8ALDH1A1
SCHEMBL6612476 0.78 CYP1A2 (0.40) ALDH1A1KDM4EMAPTTSHRCYP1A2
SCHEMBL5365077 0.77 MAPK8 (0.56) MAPK8HPGD
SCHEMBL5358857 0.76 MAPK8 (0.53) MAPK8MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 EP claimed
US-6740655-B2 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA PFIZER INC 2004-05-25 US claimed
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PFIZER PRODUCTS INC. 2003-07-31 US claimed
EP-1252157-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP claimed
WO-2001057025-A1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 WO claimed
US-6740655-B2 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA PFIZER INC 2004-05-25 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 (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-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PDE12, PDE4A, PDE4B MAPK8 1923/4885HCRTR1 2437/4885HCRTR2 3043/4885

“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.