SCHEMBL5769043

SCHEMBL5769043

O=Cc1ccn2ccnc2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CCR1 P32246 1/20 0.38
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15719337 0.72 DYRK1A (0.34) ALDH1A1DYRK1AKDM4EGLAHPGD
SCHEMBL3157196 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EGLAHPGDHSD17B10
SCHEMBL17285646 0.70 HDAC1 (0.35) CCR1
SCHEMBL6102107 0.69 ALDH1A1 (0.39) ALDH1A1DYRK1AKDM4EGLAHPGD
SCHEMBL5808966 0.69 RAB9A (0.39) ALDH1A1DYRK1AKDM4EGLAHPGD
SCHEMBL2398490 0.69 NUDT1 (0.40) ALDH1A1DYRK1AKDM4EGLAHPGD
SCHEMBL2666326 0.69 DYRK1A (0.35) ALDH1A1DYRK1AKDM4EGLAHPGD
SCHEMBL6222909 0.68 KDM4E (0.42) ALDH1A1KDM4EGLAHPGDHSD17B10
SCHEMBL4511531 0.68 PDE10A (0.33) ALDH1A1
SCHEMBL10679549 0.67 MEN1 (0.31) ALDH1A1DYRK1AKDM4EGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ALDH1A1 606/4885CCR1 1750/4885DYRK1A 2809/4885

“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.