SCHEMBL17482198

SCHEMBL17482198

Cc1cc(C)n(-c2nnc3nnc(N)n3n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 3/20 0.49
HTT P42858 5/20 0.47
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
ALOX15 P16050 3/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 7/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
MAPK1 P28482 4/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL28557784 0.81 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL3712068 0.76 RAB9A (0.67) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL3780684 0.75 HTT (0.61) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL17482202 0.73 MAPT (0.44) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL17468789 0.71 RAB9A (0.61) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL17482194 0.71 LMNA (0.50) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL4138642 0.68 HTT (0.68) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL12767148 0.68 HTT (0.83) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL17482180 0.68 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL27926814 0.68 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039297-A Synthesis method of 3-amino-6- (3, 5-dimethylpyrazole-1-yl) - [1,2,4] triazolo [4,3-b ] [1,2,4,5] tetrazine 中国科学院过程工程研究所 2024-11-29 CN claimed
CN-119039297-A Synthesis method of 3-amino-6- (3, 5-dimethylpyrazole-1-yl) - [1,2,4] triazolo [4,3-b ] [1,2,4,5] tetrazine 中国科学院过程工程研究所 2024-11-29 CN disclosed
CN-119039297-A Synthesis method of 3-amino-6- (3, 5-dimethylpyrazole-1-yl) - [1,2,4] triazolo [4,3-b ] [1,2,4,5] tetrazine 中国科学院过程工程研究所 2024-11-29 CN disclosed
CN-119039297-A Synthesis method of 3-amino-6- (3, 5-dimethylpyrazole-1-yl) - [1,2,4] triazolo [4,3-b ] [1,2,4,5] tetrazine 中国科学院过程工程研究所 2024-11-29 CN disclosed
CN-108440536-B Substituted [1,2,4] triazolo [4,3-b ] [1,2,4,5] tetrazine compound and preparation thereof 北京理工大学 2021-04-02 CN disclosed
US-10174064-B2 Photoactive energetic materials TRIAD NATIONAL SECURITY, LLC (US) 2019-01-08 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 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 (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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 SMN1; SMN2 4635/4885RAB9A 4208/4885NPC1 2726/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 SMN1; SMN2 4635/4885RAB9A 4208/4885NPC1 2726/4885

“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.