SCHEMBL12425835

SCHEMBL12425835

CCC1CCCN(C(=O)CC#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK3 P52333 11/20 0.39
JAK2 O60674 7/20 0.39
JAK1 P23458 7/20 0.39
HSD11B1 P28845 1/20 0.37
TYK2 P29597 3/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL12424943 0.94 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12424603 0.88 JAK3 (0.46) ALDH1A1MEN1MAPTKMT2AJAK3
SCHEMBL30497410 0.84 JAK2 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL24456492 0.84 JAK2 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL12424401 0.84 JAK2 (0.40) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL20795819 0.78 GNAI3 (0.50) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL1894338 0.77 ATM (0.50) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL1899746 0.77
SCHEMBL12384656 0.77 MEN1 (0.45) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL22142437 0.76 EPHX2 (0.43) ALDH1A1MEN1MAPTKMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885MEN1 298/4885MAPT 4361/4885

“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.