SCHEMBL5502401

SCHEMBL5502401

CN(C)CCNc1ncc2c(-c3cc(C(=O)NC4CC4)ccc3Cl)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.51
MCHR1 Q99705 12/20 0.51
MAPK14 Q16539 5/20 0.45
CSNK2A1 P68400 2/20 0.45
LCK P06239 1/20 0.45
KIT P10721 1/20 0.45
KDR P35968 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
HRH1 P35367 3/20 0.43
HTR2B P41595 3/20 0.43
ADRA1A P35348 2/20 0.43
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5501264 0.84 MAPK14 (0.59) ADRA2AMCHR1MAPK14LCKKIT
SCHEMBL5498385 0.76 MAPK14 (0.72) MAPK14LCKKITKDRMAPK9
SCHEMBL5496991 0.73 MAPK14 (0.57) MAPK14LCKKITKDRMAPK9
SCHEMBL5491723 0.71 MAPK14 (0.70) MAPK14LCKKITKDRMAPK9
SCHEMBL14715602 0.71 MAPK14 (0.69) MAPK14LCKKITKDRMAPK9
SCHEMBL5494293 0.68 MAPK14 (0.70) MAPK14LCKKITKDRMAPK9
SCHEMBL5495687 0.68 MAPK14 (0.70) MAPK14LCKKITKDRMAPK9
SCHEMBL23998126 0.67 MAPK14 (0.52) ADRA2AMCHR1MAPK14LCKKIT
SCHEMBL13797477 0.67 MCHR1 (1.00) ADRA2AMCHR1HRH1HTR2BADRA1A
SCHEMBL6869416 0.67 ATM (0.50) MAPK14CSNK2A1NPC1MAPTRAB9A

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-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 ADRA2A 1551/4885MCHR1 3077/4885MAPK14 301/4885

“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.