SCHEMBL6804130

SCHEMBL6804130

Nc1ccc(CNC(=O)c2cncnc2OC2=COC(Cc3ccccc3)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.40
MMP13 P45452 1/20 0.36
BCHE P06276 1/20 0.36
NSD2 O96028 2/20 0.35
SGMS2 Q8NHU3 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6613930 0.90 CA2 (0.45) KMT2A
SCHEMBL6613628 0.89 MAPK8 (0.39) MAPK8MMP13MAPT
SCHEMBL6615502 0.88 MAPK8 (0.38) MAPK8MMP13LMNAMAPTKMT2A
SCHEMBL6613045 0.88 MAPK8 (0.38) MAPK8MMP13SGMS2
SCHEMBL6615388 0.85 MAPK8 (0.47) MAPK8LMNAMAPTL3MBTL1KMT2A
SCHEMBL6611902 0.83 GPBAR1 (0.34) MAPK8KMT2A
SCHEMBL6610664 0.79 AKR1B1 (0.35) MAPK8LMNAKMT2A
SCHEMBL5365077 0.79 MAPK8 (0.56) MAPK8NSD2LMNA
SCHEMBL6612476 0.78 CYP1A2 (0.40) LMNAMAPTL3MBTL1KMT2A
SCHEMBL5358857 0.77 MAPK8 (0.53) MAPK8LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1923/4885MMP13 193/4885BCHE 202/4885

“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.