SCHEMBL5498093

SCHEMBL5498093

Cc1ccncc1-c1ccc2nc(C(C)(N)CCCN)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.47
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
BRAF P15056 1/20 0.41
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAP4K1 Q92918 2/20 0.37
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL30494215 0.74 LCK (0.70) ABL1CYP11B1CYP11B2BRAFLCK
SCHEMBL4733367 0.74 LCK (0.70) ABL1CYP11B1CYP11B2BRAFLCK
SCHEMBL5493001 0.74 ABL1 (0.46) ABL1CYP11B1CYP11B2BRAFLCK
Ammonia Solution, Strong SCHEMBL5507642 0.69 ABL1 (0.47) ABL1CYP11B1CYP11B2BRAFLCK
Ammonia Solution, Strong SCHEMBL5496907 0.68 ABL1 (0.62) ABL1CYP11B1CYP11B2BRAFLCK
SCHEMBL5492999 0.67 ABL1 (0.52) ABL1CYP11B1CYP11B2BRAFLCK
SCHEMBL5496775 0.67 ABL1 (0.54) ABL1CYP11B1CYP11B2BRAFLCK
SCHEMBL5495562 0.67 BRAF (0.48) ABL1CYP11B1CYP11B2BRAFMAP4K1
SCHEMBL5503011 0.66 BRAF (0.43) ABL1BRAFLCKKDRJAK3
SCHEMBL14569081 0.65 ABL1 (0.58) ABL1BRAFLCKKDRJAK3

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 3 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 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 32/4885CYP11B1 154/4885CYP11B2 237/4885

“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.