SCHEMBL5490236

SCHEMBL5490236

Cc1ccncc1-c1ccc2nc(C3(N)CCC(N)CC3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.48
MAP4K1 Q92918 3/20 0.45
BRAF P15056 1/20 0.43
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL5490366 0.77 ABL1 (0.47) ABL1MAP4K1BRAFKITPDGFRA
SCHEMBL5490369 0.77 ABL1 (0.47) ABL1MAP4K1BRAFKITPDGFRA
SCHEMBL5502083 0.76 ABL1 (0.45) ABL1MAP4K1BRAFCYP11B1CYP11B2
Methylamine SCHEMBL21402118 0.76 ABL1 (0.46) ABL1MAP4K1BRAFKITPDGFRA
SCHEMBL5502087 0.74 ABL1 (0.47) ABL1MAP4K1BRAFCYP11B1CYP11B2
SCHEMBL4733367 0.74 LCK (0.70) ABL1MAP4K1BRAFKITCYP11B1
SCHEMBL30494215 0.74 LCK (0.70) ABL1MAP4K1BRAFKITCYP11B1
Ammonia Solution, Strong SCHEMBL5503341 0.73 ABL1 (0.44) ABL1MAP4K1KITPDGFRACYP11B1
SCHEMBL5503337 0.72 ABL1 (0.44) ABL1MAP4K1BRAFKITPDGFRA
Ammonia Solution, Strong SCHEMBL5498296 0.72 ABL1 (0.43) ABL1MAP4K1KITPDGFRACYP11B1

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 5 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
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
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 ABL1 32/4885MAP4K1 33/4885BRAF 100/4885

“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.