SCHEMBL5498083

SCHEMBL5498083

Cc1ccc2c(=O)[nH]ncc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.42
PARP1 P09874 1/20 0.42
PRKCI P41743 1/20 0.42
PDE4B Q07343 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPC5 Q9UL62 7/20 0.37
LMNA P02545 4/20 0.37
KDM4A O75164 1/20 0.37
TSHR P16473 3/20 0.35
KDM4E B2RXH2 2/20 0.35
XDH P47989 2/20 0.34
NOS1 P29475 1/20 0.34
AXL P30530 1/20 0.34
GAA P10253 1/20 0.34
AR P10275 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ADORA2A P29274 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2266051 0.79 MAPT (0.47) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL2262824 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL29428710 0.76 NOS1 (0.50) NOS1AXL
SCHEMBL4133588 0.76 NOS1 (0.50) NOS1AXL
SCHEMBL31014282 0.74 ALDH1A1 (0.53) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL1008553 0.74 ALDH1A1 (0.53) ALDH1A1HSD17B10PARP1PRKCIPDE4B
Hydrochloric Acid SCHEMBL28520759 0.74 NOS1 (0.48) NOS1AXL
SCHEMBL2264374 0.73 ALDH1A1 (0.49) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL26920874 0.71 ALDH1A1 (0.42) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL26049056 0.71 ALDH1A1 (0.42) ALDH1A1HSD17B10PARP1PRKCIPDE4B

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 disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP 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 ALDH1A1 1563/4885HSD17B10 2789/4885PARP1 617/4885

“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.