SCHEMBL12487535

SCHEMBL12487535

CC(=O)Nc1ccc(-c2ccc3nnn(Cc4c[nH]c5ncccc45)c3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.48
MTNR1A P48039 1/20 0.42
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
ATM Q13315 1/20 0.38
SYK P43405 2/20 0.37
TDO2 P48775 1/20 0.37
CDK2 P24941 4/20 0.36
CCNE1 P24864 3/20 0.36
HTR2A P28223 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35

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
SCHEMBL12489814 0.80 MET (0.53) MET
SCHEMBL16882543 0.80 MTNR1A (0.42) METMTNR1ADRD2DRD4DRD3
SCHEMBL12487862 0.79 MET (0.51) METDRD2DRD4DRD3CDK2
SCHEMBL12693327 0.78 FGFR1 (0.53) METDRD2DRD4DRD3SYK
SCHEMBL12489241 0.77 MET (0.79) METCDK2CCNE1
SCHEMBL12487609 0.75 MET (0.63) METCDK2CCNE1
SCHEMBL21167697 0.75 MTNR1A (0.44) MTNR1ASYKTDO2GPR84
SCHEMBL21167698 0.73 MTNR1A (0.42) MTNR1ASYKTDO2CDK2GPR84
SCHEMBL12693328 0.73 MET (0.56) MET
SCHEMBL1330238 0.69 MET (0.54) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180263977-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2018-09-20 US claimed
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2021-05-27 US disclosed
US-10946014-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2021-03-16 US disclosed
US-20200179377-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2020-06-11 US disclosed
US-9956218-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2018-05-01 US disclosed
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2017-02-02 US disclosed
US-9255104-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
EP-2966075-A1 CERTAIN TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CANCER. Hutchison Medipharma Limited (CN) 2016-01-13 EP disclosed
US-20150368271-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2015-12-24 US disclosed
US-8987269-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2015-03-24 US disclosed
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 US disclosed
US-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-09-27 US disclosed
WO-2011079804-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2011-07-07 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 (8 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-20120245178-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885
US-10946014-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885
US-20150368271-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885
US-20210154192-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885
US-20200179377-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885
US-20180263977-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885
US-20170027934-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 MET 4578/4885MTNR1A 2760/4885DRD2 2045/4885

“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.