SCHEMBL5501404

SCHEMBL5501404

Cc1ccc(NC(=O)CN2CCCC2)c(N)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 2/20 0.70
HPGD P15428 2/20 0.70
RAD52 P43351 2/20 0.67
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
GFER P55789 1/20 0.56
POLB P06746 3/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL14568633 0.99 NPC1 (0.72) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL5506340 0.88 ALDH1A1 (0.57) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL10992590 0.84 NPC1 (0.76) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL10982718 0.84 NPC1 (0.76) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL13102347 0.83 ALDH1A1 (0.73) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL14825245 0.83 NPC1 (0.97) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL5495163 0.83 RAD52 (0.60) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL21416937 0.82 HPGD (0.49) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL15086524 0.82 RAD52 (0.61) NPC1RAB9AHPGDRAD52MEN1
SCHEMBL5498221 0.82 ALDH1A1 (0.59) NPC1RAB9AHPGDRAD52MEN1

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-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 NPC1 1130/4885RAB9A 3546/4885HPGD 909/4885

“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.