SCHEMBL6469764

SCHEMBL6469764

ONc1ncnc2[nH]cc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.43
TNNI3K Q59H18 3/20 0.43
MAPK1 P28482 2/20 0.38
CHEK1 O14757 2/20 0.38
IRAK4 Q9NWZ3 6/20 0.37
MAP4K4 O95819 5/20 0.37
PRKACA P17612 5/20 0.37
GSK3B P49841 5/20 0.37
CLK4 Q9HAZ1 5/20 0.37
PRKD3 O94806 4/20 0.37
CLK2 P49760 4/20 0.37
GSK3A P49840 4/20 0.37
CDK5 Q00535 4/20 0.37
MAP4K2 Q12851 4/20 0.37
DYRK1A Q13627 4/20 0.37
ROCK2 O75116 4/20 0.37
CDK2 P24941 4/20 0.37
CDC7 O00311 4/20 0.37
CDK1 P06493 3/20 0.37
FGFR1 P11362 3/20 0.37

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
SCHEMBL7885565 0.78 MAPK1 (0.39) BRAFTNNI3KMAPK1CHEK1IRAK4
SCHEMBL868756 0.76 RET (0.41) BRAFTNNI3KMAPK1CHEK1IRAK4
SCHEMBL154600 0.74 CHEK1 (0.61) BRAFTNNI3KMAPK1CHEK1DYRK1A
SCHEMBL19306619 0.74 BRAF (0.41) BRAFTNNI3KMAPK1CHEK1IRAK4
SCHEMBL4006360 0.74 BRAF (0.60) BRAFTNNI3KMAPK1IRAK4MAP4K4
SCHEMBL31706714 0.73 BTK (0.40) BRAFTNNI3KMAPK1CHEK1IRAK4
SCHEMBL10110415 0.73 AKT1 (0.39) BRAFTNNI3KMAPK1CHEK1IRAK4
SCHEMBL31705805 0.72 BRAF (0.40) BRAFTNNI3KIRAK4MAP4K4PRKACA
SCHEMBL17208093 0.71 BTK (0.44) BRAFTNNI3KMAP4K4CDK1RPS6KB1
SCHEMBL4005872 0.70 PDPK1 (0.40) BRAFTNNI3KMAPK1CHEK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203063-A1 Proteasome pathway inhibitors and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-09-15 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-20050203063-A1 Proteasome pathway inhibitors and related methods PSME1, PSMC5, PSMB1 BRAF 1348/4885TNNI3K 991/4885MAPK1 565/4885

“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.