SCHEMBL5495690

SCHEMBL5495690

CN(C)CC#Cc1ncc2cc(Br)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
EGFR P00533 2/20 0.34
ERBB2 P04626 1/20 0.34
BACE1 P56817 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ACACB O00763 1/20 0.31
PYCR1 P32322 1/20 0.31
KDM1A O60341 1/20 0.30
GBA1 P04062 1/20 0.30
PIK3CD O00329 1/20 0.30
LMNA P02545 1/20 0.30
PIK3R1 P27986 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
KCNH2 Q12809 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL14724688 0.84 CYP2A6 (0.37) CYP2A6BACE1ALDH1A1KCNH2
SCHEMBL5491292 0.69 EGFR (0.43) CYP2A6EGFRBACE1HTTALDH1A1
SCHEMBL5505032 0.68 EGFR (0.53) EGFR
SCHEMBL6844988 0.67 BACE1 (0.46) CYP2A6BACE1HTTALDH1A1ACACB
SCHEMBL10271490 0.66 BACE1 (0.42) BACE1HTTALDH1A1ACACBGBA1
SCHEMBL30839232 0.66 BACE1 (0.48) CYP2A6BACE1HTTALDH1A1
SCHEMBL1461279 0.66 BACE1 (0.48) CYP2A6BACE1HTTALDH1A1
SCHEMBL5495588 0.66 FLT3 (0.47) EGFRKDM1A
SCHEMBL21768459 0.66 OPRM1 (0.43) EGFRBACE1HTTACACBPIK3CD
SCHEMBL5492752 0.65 BRAF (0.34) EGFRBACE1ACACBKCNH2

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 7 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-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 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
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO 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 CYP2A6 581/4885EGFR 333/4885ERBB2 24/4885

“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.