SCHEMBL4182437

SCHEMBL4182437

Cc1cc(-c2nn[nH]n2)cc(C(=O)NCc2ccc(F)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.61
SLC22A8 Q8TCC7 1/20 0.56
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
XDH P47989 1/20 0.50
RET P07949 1/20 0.49
SCN9A Q15858 1/20 0.49
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8056592 0.89 MMP13 (0.59) MMP13EPHX2NR1H4
SCHEMBL8070170 0.87 MMP13 (0.61) MMP13EPHX2NR1H4
SCHEMBL3694242 0.85 MMP13 (0.62) MMP13
SCHEMBL3688685 0.81 MMP13 (0.63) MMP13
SCHEMBL8066880 0.79 XDH (0.56) MMP13XDH
SCHEMBL4173194 0.79 MMP13 (0.78) MMP13SLC22A8
SCHEMBL8072658 0.77 MMP13 (0.53) MMP13XDH
SCHEMBL6258908 0.77 MMP13 (0.53) MMP13SLC22A8THRBPOLBSMN1; SMN2
SCHEMBL4258003 0.76 MMP13 (1.00) MMP13SLC22A8
SCHEMBL14448624 0.75 XDH (0.49) MMP13EPHX2NR1H4XDHPOLB

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
CN-101815710-A Pyrimidine and pyridine derivatives, their pharmaceutical use and compositions PFIZER 2010-08-25 CN disclosed
US-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives PFIZER INC. (US) 2009-05-28 US disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
EP-1828162-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-09-05 EP disclosed
WO-2006061706-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-06-15 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-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives MMP13, MMP11, MMP3 MMP13 1/4885SLC22A8 1038/4885EPHX2 3624/4885

“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.