SCHEMBL5502689

SCHEMBL5502689

Nc1ncc2cc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)ccc2n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.83
KDR P35968 7/20 0.78
MAPK14 Q16539 7/20 0.78
JAK3 P52333 6/20 0.78
TEK Q02763 4/20 0.78
PTGS1 P23219 1/20 0.60
CSF1R P07333 1/20 0.56
KIT P10721 1/20 0.56
BTK Q06187 1/20 0.56
PLG P00747 1/20 0.56
PLAU P00749 1/20 0.56
PLAT P00750 1/20 0.56
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
KCNE1 P15382 1/20 0.54
KCNQ1 P51787 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
P2RX1 P51575 1/20 0.54
LMNA P02545 1/20 0.54
BRAF P15056 1/20 0.54

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
SCHEMBL5503518 0.92 LCK (0.84) LCKKDRMAPK14JAK3TEK
SCHEMBL5499024 0.91 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL5495602 0.90 LCK (0.87) LCKKDRMAPK14JAK3TEK
SCHEMBL5501118 0.89 LCK (0.76) LCKKDRMAPK14JAK3TEK
SCHEMBL5498342 0.89 LCK (0.82) LCKKDRMAPK14JAK3TEK
SCHEMBL5501484 0.88 LCK (0.87) LCKKDRMAPK14JAK3TEK
SCHEMBL5497472 0.88 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL5497440 0.86 LCK (0.76) LCKKDRMAPK14JAK3TEK
SCHEMBL13220185 0.86 PTGS1 (0.69) LCKKDRMAPK14JAK3TEK
SCHEMBL5497158 0.84 LCK (0.78) LCKKDRMAPK14JAK3TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
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 106/4885KDR 1044/4885MAPK14 301/4885

“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.