SCHEMBL7516102

SCHEMBL7516102

CNC(=O)c1ccc2nccn2c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
NAMPT P43490 16/20 0.52
S1PR3 Q99500 1/20 0.50
MCHR1 Q99705 1/20 0.50
HDAC1 Q13547 1/20 0.49
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3492329 0.84 MAOB (0.58) MAOBNAMPTS1PR3MCHR1HDAC1
SCHEMBL26255466 0.83 NAMPT (0.58) MAOBNAMPTHDAC1CYP2C9
SCHEMBL12327197 0.81 MAOB (0.51) MAOBNAMPTS1PR3MCHR1HDAC1
SCHEMBL18569900 0.81 NAMPT (0.60) MAOBNAMPTHDAC1CYP2C9
SCHEMBL359745 0.81 TRIM33 (0.55) MAOBNAMPTS1PR3MCHR1HDAC1
SCHEMBL20603245 0.80 NAMPT (0.55) MAOBNAMPTHDAC1CYP2C9
SCHEMBL173528 0.80 MAOB (0.52) MAOBNAMPTS1PR3MCHR1HDAC1
SCHEMBL20899964 0.79 MAOB (0.50) MAOBNAMPTS1PR3MCHR1HDAC1
SCHEMBL16220645 0.79 NAMPT (0.61) MAOBNAMPTHDAC1CYP2C9
SCHEMBL5401677 0.79 NAMPT (0.60) NAMPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867715-B 5-azaindazole derivatives as adenosine receptor antagonists 默克专利股份公司 2024-03-05 CN disclosed
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-12-09 US disclosed
US-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-12-09 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 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 (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-20210380606-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 MAOB 406/4885NAMPT 613/4885S1PR3 380/4885

“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.