SCHEMBL5494517

SCHEMBL5494517

CN1CCN(c2ccc(Nc3ncc4cc(Br)ccc4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.62
EGFR P00533 12/20 0.61
KDR P35968 2/20 0.61
STK17A Q9UEE5 1/20 0.56
ALK Q9UM73 1/20 0.55
FGFR1 P11362 2/20 0.53
CDK4 P11802 3/20 0.53
CCND1 P24385 2/20 0.53
CCND2 P30279 2/20 0.53
CCND3 P30281 2/20 0.53
AURKA O14965 1/20 0.53
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
CCNE1 P24864 1/20 0.53

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
SCHEMBL1866937 0.87 MAPT (0.60) STK17ACDK4CCND1CCND2CCND3
SCHEMBL27174693 0.83 MAP4K1 (0.73) MAP4K1EGFRKDRALKFGFR1
SCHEMBL2961783 0.81 EGFR (0.60) MAP4K1EGFRKDRALKFGFR1
SCHEMBL5501445 0.81 MAP4K1 (0.64) MAP4K1EGFRSTK17AALKFGFR1
SCHEMBL29576068 0.80 MAP4K1 (0.72) MAP4K1EGFRALKFGFR1CDK4
SCHEMBL29575814 0.79 MAP4K1 (0.71) MAP4K1EGFRALKFGFR1CDK4
SCHEMBL5494435 0.78 MAP4K1 (0.57) MAP4K1EGFRSTK17AALKCDK4
SCHEMBL31688436 0.77 MAP4K1 (0.59) MAP4K1EGFRKDRALKFGFR1
SCHEMBL14330683 0.77 ALK (0.64) EGFRKDRALKFGFR1CCND3
SCHEMBL29847961 0.77 EGFR (0.58) MAP4K1EGFRKDRALKCDK4

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-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 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
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 MAP4K1 33/4885EGFR 333/4885KDR 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.