SCHEMBL5498053

SCHEMBL5498053

NCc1cccc(-c2ccc3nc(NCCc4ccccn4)ncc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
FGFR1 P11362 1/20 0.42
RPS6KB1 P23443 3/20 0.42
CDK8 P49336 1/20 0.41
CYP1A2 P05177 1/20 0.40
ABL1 P00519 1/20 0.39
GBA1 P04062 1/20 0.39
MAP4K1 Q92918 1/20 0.39
PIK3CA P42336 2/20 0.39
APP P05067 2/20 0.38
OGA O60502 1/20 0.38
IGF1R P08069 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ACP1 P24666 1/20 0.38
TRIM58 Q8NG06 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL5491332 0.90 BRD4 (0.43) BRD4FGFR1RPS6KB1CDK8CYP1A2
SCHEMBL5490633 0.88 GBA1 (0.47) BRD4FGFR1RPS6KB1CYP1A2GBA1
SCHEMBL5498224 0.83 FGFR1 (0.50) BRD4FGFR1CYP1A2APPOGA
SCHEMBL5492004 0.83 NAMPT (0.48) BRD4FGFR1RPS6KB1CYP1A2GBA1
SCHEMBL5497134 0.82 MAPK8 (0.45) BRD4FGFR1RPS6KB1CYP1A2GBA1
SCHEMBL5492699 0.79 LCK (0.48) BRD4FGFR1CDK8MAPK8
SCHEMBL5490452 0.79 LCK (0.52) BRD4FGFR1CYP1A2APPOGA
SCHEMBL5494839 0.79 FGFR1 (0.52) FGFR1CYP1A2ABL1GBA1OGA
SCHEMBL5488816 0.79 KDM4E (0.46) BRD4FGFR1RPS6KB1CYP1A2GBA1
SCHEMBL5500297 0.78 FGFR1 (0.46) BRD4FGFR1CYP1A2APPOGA

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 8 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
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US 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
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 BRD4 395/4885FGFR1 302/4885RPS6KB1 256/4885

“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.