SCHEMBL741720

SCHEMBL741720

O=C(O)c1cn2cc(Cl)ccc2n1.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
RAB9A P51151 8/20 0.55
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 6/20 0.50
EGLN1 Q9GZT9 2/20 0.50
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.47
USP30 Q70CQ3 1/20 0.44
APP P05067 1/20 0.44
MAP3K5 Q99683 1/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL299158 0.98 HRH4 (0.58) HRH4HRH3PTGS1PTGS2RAB9A
SCHEMBL3498537 0.85 EGLN1 (0.67) HRH4HRH3PTGS1PTGS2RAB9A
SCHEMBL20646875 0.83 HRH4 (0.61) HRH4HRH3RAB9AKDM4EALDH1A1
SCHEMBL3764713 0.83 HRH4 (0.57) HRH4HRH3RAB9AKDM4EALDH1A1
SCHEMBL19017784 0.82 HRH4 (0.57) HRH4HRH3RAB9AKDM4EALDH1A1
Lithium Ion SCHEMBL741719 0.81 HRH4 (0.56) HRH4HRH3RAB9AKDM4EALDH1A1
SCHEMBL4211423 0.81 RAB9A (0.53) HRH4HRH3PTGS1PTGS2RAB9A
SCHEMBL4213158 0.80 HRH4 (0.55) HRH4HRH3RAB9AKDM4EALDH1A1
SCHEMBL20646876 0.79 HRH4 (0.57) HRH4HRH3RAB9AKDM4EALDH1A1
SCHEMBL2638074 0.79 PTGS1 (0.59) HRH4HRH3PTGS1PTGS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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 (3 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 HRH4 186/4885HRH3 433/4885PTGS1 644/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 HRH4 186/4885HRH3 433/4885PTGS1 644/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HRH4 580/4885HRH3 1029/4885PTGS1 978/4885

“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.