SCHEMBL5519031

SCHEMBL5519031

CC(CN)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
KDM4E B2RXH2 2/20 0.69
MEN1 O00255 1/20 0.69
SIGMAR1 Q99720 3/20 0.60
MC4R P32245 1/20 0.56
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.51
DRD4 P21917 1/20 0.50
ACHE P22303 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL13638129 0.85 KMT2A (0.71) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL16226234 0.85 KMT2A (0.71) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL3312142 0.83 KMT2A (0.69) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL3260289 0.83 SIGMAR1 (0.64) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL6742979 0.82 SIGMAR1 (0.69) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL278653 0.82 SIGMAR1 (0.69) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL14407770 0.82 SIGMAR1 (0.69) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL16226336 0.82 KMT2A (1.00) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL16226907 0.82 KMT2A (1.00) KMT2AKDM4EMEN1SIGMAR1MC4R
SCHEMBL16227228 0.82 KMT2A (1.00) KMT2AKDM4EMEN1SIGMAR1MC4R

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-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2007-01-11 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-20070010569-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, PLK2, PNCK KMT2A 2261/4885KDM4E 1351/4885MEN1 3885/4885

“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.