SCHEMBL5505032

SCHEMBL5505032

CN(C)CCNc1ncc2cc(Br)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
FLT3 P36888 2/20 0.43
BRAF P15056 2/20 0.42
NQO2 P16083 2/20 0.42
MKNK1 Q9BUB5 2/20 0.41
DNM2 P50570 2/20 0.41
MKNK2 Q9HBH9 1/20 0.40
NQO1 P15559 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL5495588 0.92 FLT3 (0.47) EGFRFLT3
SCHEMBL14568526 0.84 BRAF (0.43) EGFRBRAFMKNK1DNM2MKNK2
SCHEMBL14724691 0.83 KMT2A (0.44) EGFRFLT3DNM2
SCHEMBL14724660 0.83 BRAF (0.42) EGFRBRAFMKNK1DNM2MKNK2
SCHEMBL5495483 0.82 BRAF (0.43) BRAFMKNK1MKNK2P2RX3P2RX2
SCHEMBL5498763 0.81 FGFR1 (0.53) EGFRFLT3
SCHEMBL5494492 0.81 BRD4 (0.39) EGFRBRAF
SCHEMBL5492795 0.80 KMT2A (0.56) FLT3BRAFNQO2NQO1
SCHEMBL5496280 0.80 LMNA (0.44) BRAF
SCHEMBL3337103 0.79 FDPS (0.53) EGFRMKNK1DNM2MKNK2

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 6 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
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
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 EGFR 333/4885FLT3 134/4885BRAF 100/4885

“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.