SCHEMBL14568517

SCHEMBL14568517

Cc1ccncc1-c1ccc2nc(N[C@H]3CC[C@H](NC(C)C)CC3)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.47
MAP4K1 Q92918 2/20 0.46
LCK P06239 2/20 0.46
KDR P35968 2/20 0.46
MAPK14 Q16539 2/20 0.46
JAK3 P52333 1/20 0.46
ABL1 P00519 10/20 0.45
CCNT1 O60563 1/20 0.42
CCNK O75909 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
GRIA2 P42262 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
SCHEMBL5502650 1.00 BRAF (0.47) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5490369 0.88 ABL1 (0.47) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5497234 0.88 RIPK2 (0.52) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5498511 0.88 RIPK2 (0.52) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5490366 0.88 ABL1 (0.47) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL14568512 0.87 IRAK4 (0.55) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5500764 0.87 IRAK4 (0.55) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5503337 0.85 ABL1 (0.44) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5496954 0.85 BRAF (0.51) BRAFMAP4K1LCKKDRMAPK14
SCHEMBL5496955 0.85 BRAF (0.51) BRAFMAP4K1LCKKDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRAF 100/4885MAP4K1 33/4885LCK 106/4885

“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.