SCHEMBL5501111

SCHEMBL5501111

Nc1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3Cl)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.60
MAPK14 Q16539 11/20 0.53
KDR P35968 4/20 0.49
KIT P10721 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
RIPK2 O43353 3/20 0.48
CSF1R P07333 1/20 0.48
ABL1 P00519 3/20 0.47
JAK3 P52333 2/20 0.47
TEK Q02763 1/20 0.47
MAPK13 O15264 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL21416755 0.89 MAPK14 (0.50) LCKMAPK14KDRKITMAPK9
SCHEMBL5494440 0.88 MAPK14 (0.63) LCKMAPK14KDRKITMAPK9
SCHEMBL5504803 0.85 MAPK14 (0.55) LCKMAPK14KDRKITMAPK9
SCHEMBL23998126 0.84 MAPK14 (0.52) LCKMAPK14KDRKITMAPK9
SCHEMBL5490697 0.84 ABL1 (0.64) LCKMAPK14KDRKITMAPK9
SCHEMBL5497179 0.83 ABL1 (0.62) LCKMAPK14KDRKITMAPK9
SCHEMBL5500272 0.82 LCK (0.45) LCKMAPK14KDRKITMAPK9
SCHEMBL5501264 0.81 MAPK14 (0.59) LCKMAPK14KDRKITMAPK9
SCHEMBL5494873 0.79 MAPK14 (0.44) LCKMAPK14KDRKITMAPK9
SCHEMBL5491582 0.79 MAPK14 (0.63) LCKMAPK14KDRKITMAPK9

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-3395814-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2022-04-06 EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885MAPK14 301/4885KDR 1044/4885

“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.