SCHEMBL4212929

SCHEMBL4212929

CCNC(=O)c1ccc(-c2n[nH]c3cc(-c4cc(C(=O)NCC)ccc4C)ccc23)nc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 16/20 0.49
FGFR1 P11362 14/20 0.49
MAPK14 Q16539 2/20 0.46
TRPA1 O75762 1/20 0.43
CYP2C9 P11712 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42

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
SCHEMBL4231096 0.88 DDR2 (0.47) DDR2FGFR1MAPK14TRPA1ABL1
SCHEMBL4219480 0.86 DDR2 (0.51) DDR2FGFR1MAPK14TRPA1ABL1
SCHEMBL4225514 0.86 DDR2 (0.50) DDR2FGFR1MAPK14TRPA1ABL1
SCHEMBL4215237 0.85 MAP2K4 (0.53) DDR2FGFR1MAPK14TRPA1ABL1
SCHEMBL13948930 0.85 TRPA1 (0.50) DDR2FGFR1MAPK14TRPA1
SCHEMBL4215363 0.83 TRPA1 (0.51) DDR2FGFR1MAPK14TRPA1
SCHEMBL4224187 0.83 DDR2 (0.47) DDR2FGFR1MAPK14TRPA1ABL1
SCHEMBL3525330 0.82 MAPK14 (0.51) DDR2FGFR1MAPK14ABL1BCR
SCHEMBL3526325 0.81 MAPK14 (0.45) DDR2FGFR1MAPK14TRPA1ABL1
SCHEMBL4219224 0.80 DDR2 (0.48) DDR2FGFR1MAPK14TRPA1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP 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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 DDR2 3674/4885FGFR1 591/4885MAPK14 19/4885

“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.