SCHEMBL3461908

SCHEMBL3461908

CN(N)C(=O)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ADORA3 P0DMS8 1/20 0.57
MC4R P32245 1/20 0.57
ADRA1A P35348 1/20 0.57
MC3R P41968 1/20 0.57
KDM4E B2RXH2 4/20 0.53
NAPRT Q6XQN6 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
BAZ2B Q9UIF8 1/20 0.47
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL31086815 0.84 KDM4E (0.57) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL2011634 0.84 KDM4E (0.57) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL28851350 0.84 TSHR (0.61) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL9815887 0.80 TSHR (0.52) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL2568939 0.78 KDM4E (0.50) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL2311114 0.78 KDM4E (0.50) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL16011500 0.78 KDM4E (0.59) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL28269739 0.77 KDM4E (0.53) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL28154213 0.76 KDM4E (0.57) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL2570916 0.76 ALDH1A1 (0.54) TSHRADORA3MC4RADRA1AMC3R

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-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS UNIVERSIDADE FEDERAL DO RIO DE JANEIRO – UFRJ (BR) 2024-10-10 US disclosed
CN-105849097-A Substituted pyridine derivatives as GSK-3 inhibitors 百时美施贵宝公司 2016-08-10 CN disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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 (2 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-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS SCN1A, SCN7A, SCN8A TSHR 3726/4885ADORA3 1457/4885MC4R 1896/4885
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 TSHR 1307/4885ADORA3 1388/4885MC4R 1188/4885

“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.