SCHEMBL301751

SCHEMBL301751

N#Cc1cccc(-c2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.61
AURKA O14965 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
GRM5 P41594 2/20 0.55
IDO1 P14902 2/20 0.53
MAOB P27338 1/20 0.53
CDC7 O00311 1/20 0.52
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
NOTUM Q6P988 2/20 0.49
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 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
SCHEMBL31588133 1.00 CLK4 (0.61) CLK4AURKAGSK3AGSK3BGRM5
SCHEMBL25543819 0.88 AURKA (0.51) CLK4AURKAGSK3AGSK3BGRM5
SCHEMBL27787243 0.87 CLK4 (0.63) CLK4IDO1MAOBGABRA1GABRG2
Hydrochloric Acid SCHEMBL28684505 0.87 GRM5 (0.59) CLK4AURKAGSK3AGSK3BGRM5
Hydrochloric Acid SCHEMBL28007259 0.85 CLK4 (0.61) CLK4IDO1MAOBGABRA1GABRG2
SCHEMBL2154026 0.85 CLK4 (0.65) CLK4IDO1MAOBGABRA1GABRG2
SCHEMBL29425207 0.83 GABRG2 (0.61) CLK4IDO1MAOBGABRA1GABRG2
SCHEMBL270874 0.83 GABRG2 (0.61) CLK4IDO1MAOBGABRA1GABRG2
SCHEMBL13977114 0.83 CDC7 (0.59) CLK4AURKAGSK3AGSK3BGRM5
SCHEMBL7607470 0.81 KIT (0.51) CLK4AURKAGSK3AGSK3BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US claimed
JP-4851440-B2 2012-01-11 JP claimed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP claimed
CN-101429194-A Process for the preparation of tryptase inhibitors AVENTIS PHARMA INC (US) 2009-05-13 CN claimed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US claimed
CN-1950362-A Preparation method of tryptase inhibitor AVENTIS PHARMA INC (US) 2007-04-18 CN claimed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP claimed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO claimed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN disclosed
EP-3604308-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2023-09-13 EP disclosed
EP-3604308-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2020-02-05 EP disclosed
US-9657015-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-23 US disclosed
WO-2016016364-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 WO disclosed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO disclosed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
US-5064832-A Bipyrimidine Compounds, Antitumor Agents CIBA-GEIGY CORPORATION (US) 1991-11-12 US disclosed
US-4968804-A Bipyridine compounds CIBA-GEIGY CORPORATION (US) 1990-11-06 US disclosed
EP-0350448-A1 Biaryl compounds CIBA-GEIGY AG (CH) 1990-01-10 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 (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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 CLK4 4316/4885AURKA 2918/4885GSK3A 2713/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 CLK4 4316/4885AURKA 2918/4885GSK3A 2713/4885

“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.