SCHEMBL2177472

SCHEMBL2177472

N#Cc1ccn2nccc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
SCN5A Q14524 1/20 0.42
TGFBR1 P36897 3/20 0.35
EGLN2 Q96KS0 3/20 0.33
OGA O60502 1/20 0.33
SOS2 Q07890 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CDK2 P24941 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PIK3CD O00329 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL15719787 0.81 DYRK1A (0.44) DYRK1ASCN5ATGFBR1OGAPCSK9
SCHEMBL2717282 0.81 DYRK1A (0.44) DYRK1ASCN5ATGFBR1OGAPCSK9
SCHEMBL3347208 0.81 DYRK1A (0.36) DYRK1ASCN5ATGFBR1OGACDK2
SCHEMBL3347261 0.78 GRM5 (0.47)
SCHEMBL3347519 0.75 GRM4 (0.46) DYRK1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3347789 0.74 GRM5 (0.49) DYRK1ASCN5ATGFBR1OGACYP1A2
SCHEMBL3347027 0.74 GRM5 (0.50) DYRK1ATGFBR1CYP1A2
SCHEMBL3346876 0.73 CYP19A1 (0.42) ALDH1A1
SCHEMBL2066709 0.73 EGLN2 (0.33) EGLN2SOS2
SCHEMBL3346205 0.73 OGA (0.53) DYRK1ASCN5ATGFBR1OGACYP1A2

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108957-A1 5-CYANOPYRAZOLO[1,5-A]PYRIMIDINE COMPOUND AND SYNTHESIS METHOD THEREFOR 皖西学院 2024-05-30 WO claimed
CN-118063466-A 5-Cyano pyrazolo [1,5-a ] pyrimidine compound and synthetic method thereof 皖西学院 2024-05-24 CN claimed
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US claimed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 EP claimed
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2025-03-27 US disclosed
WO-2024108957-A1 5-CYANOPYRAZOLO[1,5-A]PYRIMIDINE COMPOUND AND SYNTHESIS METHOD THEREFOR 皖西学院 2024-05-30 WO disclosed
WO-2024108957-A1 5-CYANOPYRAZOLO[1,5-A]PYRIMIDINE COMPOUND AND SYNTHESIS METHOD THEREFOR 皖西学院 2024-05-30 WO disclosed
WO-2024108957-A1 5-CYANOPYRAZOLO[1,5-A]PYRIMIDINE COMPOUND AND SYNTHESIS METHOD THEREFOR 皖西学院 2024-05-30 WO disclosed
CN-118063466-A 5-Cyano pyrazolo [1,5-a ] pyrimidine compound and synthetic method thereof 皖西学院 2024-05-24 CN disclosed
CN-118063466-A 5-Cyano pyrazolo [1,5-a ] pyrimidine compound and synthetic method thereof 皖西学院 2024-05-24 CN disclosed
CN-118063466-A 5-Cyano pyrazolo [1,5-a ] pyrimidine compound and synthetic method thereof 皖西学院 2024-05-24 CN disclosed
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2024-05-02 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
WO-2011079804-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2011-07-07 WO disclosed
US-20070232586-A1 Hydrazino-Substituted Heterocyclic Nitrile Compounds and Use Thereof OHMOTO KAZUYUKI 2007-10-04 US disclosed
US-20070232586-A1 Hydrazino-Substituted Heterocyclic Nitrile Compounds and Use Thereof OHMOTO KAZUYUKI 2007-10-04 US disclosed
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1739081-A1 HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-03 EP disclosed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 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 (5 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 DYRK1A 3409/4885SCN5A 865/4885TGFBR1 4422/4885
US-20070197510-A1 Nitriles and medicinal compositions containing the same as the active ingredient CTRL, NOS1, CPN1 DYRK1A 4606/4885SCN5A 737/4885TGFBR1 1980/4885
US-20070232586-A1 Hydrazino-Substituted Heterocyclic Nitrile Compounds and Use Thereof CTRL, PRSS1, CTSZ DYRK1A 4159/4885SCN5A 1352/4885TGFBR1 1318/4885
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 DYRK1A 3409/4885SCN5A 865/4885TGFBR1 4422/4885
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 DYRK1A 3409/4885SCN5A 865/4885TGFBR1 4422/4885

“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.