SCHEMBL5489774

SCHEMBL5489774

CN(C)CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccc3nc(N)ncc3c2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.61
KDR P35968 8/20 0.54
TEK Q02763 8/20 0.54
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
RAF1 P04049 1/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
JAK3 P52333 3/20 0.43
MAPK14 Q16539 3/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5492672 0.88 LCK (0.70) LCKKDRTEKTNKSTNKS2
SCHEMBL5502207 0.88 LCK (0.61) LCKKDRTEKTNKSTNKS2
SCHEMBL5491403 0.87 LCK (0.60) LCKKDRTEKTNKSTNKS2
SCHEMBL5498314 0.86 LCK (0.64) LCKKDRTEKTNKSTNKS2
SCHEMBL5502214 0.86 LCK (0.64) LCKKDRTEKTNKSTNKS2
SCHEMBL5498788 0.84 LCK (0.68) LCKKDRTEKTNKSTNKS2
SCHEMBL5502821 0.84 LCK (0.64) LCKKDRTEKKDM4EHPGD
SCHEMBL5503459 0.82 LCK (0.57) LCKKDRTEKTNKSTNKS2
SCHEMBL5501160 0.82 LCK (0.59) LCKKDRTEKRXFP1JAK3
SCHEMBL5496542 0.82 LCK (0.57) LCKKDRTEKRXFP1JAK3

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 10 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
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO 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 1044/4885TEK 836/4885

“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.