SCHEMBL3978434

SCHEMBL3978434

c1ccc2c(-n3nnc4ccccc43)ncnc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 5/20 0.65
RAB9A P51151 2/20 0.65
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ESR1 P03372 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PTK2 Q05397 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
KCNMA1 Q12791 1/20 0.46
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4366985 0.81 LMNA (0.49) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL14478873 0.74 ALDH1A1 (0.60) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL24713954 0.73 ALDH1A1 (0.50) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL31193318 0.73 ALDH1A1 (0.50) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL17928656 0.73 ALDH1A1 (0.50) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL20687043 0.72 SMN1; SMN2 (0.46) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL22641168 0.72 KCNMA1 (0.53) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL7188077 0.70 RAB9A (0.54) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL12204536 0.70 SMN1; SMN2 (0.54) ALDH1A1LMNARAB9AKMT2AKDM4E
SCHEMBL10061817 0.70 SMN1; SMN2 (0.58) ALDH1A1LMNARAB9AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 ALDH1A1 1591/4885LMNA 1994/4885RAB9A 3568/4885

“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.