SCHEMBL301749

SCHEMBL301749

NCc1cccc(-c2ccncc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.67
PRMT6 Q96LA8 1/20 0.61
LOXL2 Q9Y4K0 2/20 0.58
HRH3 Q9Y5N1 1/20 0.53
CYP2A6 P11509 1/20 0.52
CYP17A1 P05093 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
CYP19A1 P11511 2/20 0.50
TAAR1 Q96RJ0 3/20 0.48
NOTUM Q6P988 1/20 0.48
KIF11 P52732 1/20 0.47
CDK8 P49336 1/20 0.46
KLKB1 P03952 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
PNMT P11086 1/20 0.45
ENPP2 Q13822 1/20 0.45

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
Hydrochloric Acid SCHEMBL972408 0.98 PRKCI (0.65) PRKCIPRMT6LOXL2HRH3CYP2A6
Hydrochloric Acid SCHEMBL970902 0.98 PRKCI (0.65) PRKCIPRMT6LOXL2HRH3CYP2A6
SCHEMBL3791745 0.85 LOXL2 (0.60) PRMT6LOXL2HRH3TAAR1CDK8
SCHEMBL21540883 0.85 PRKCI (0.62) PRKCIPRMT6LOXL2HRH3CYP17A1
SCHEMBL29400616 0.83 TAAR1 (0.70) LOXL2HRH3TAAR1KLKB1PNMT
SCHEMBL43554 0.83 TAAR1 (0.70) LOXL2HRH3TAAR1KLKB1PNMT
SCHEMBL3794460 0.83 TAAR1 (0.70) LOXL2HRH3CYP2A6TAAR1CDK8
SCHEMBL10287586 0.82 PRKCI (0.59) PRKCIPRMT6LOXL2HRH3CYP2A6
Bromide SCHEMBL1856525 0.81 TAAR1 (0.67) LOXL2HRH3TAAR1KLKB1PNMT
Hydrochloric Acid SCHEMBL1237399 0.81 TAAR1 (0.67) LOXL2HRH3TAAR1KLKB1PNMT

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
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 US disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
CN-1950362-A Preparation method of tryptase inhibitor AVENTIS PHARMA INC (US) 2007-04-18 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, SSTR5, FFAR3 PRKCI 2244/4885PRMT6 3537/4885LOXL2 2890/4885
US-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 PRKCI 80/4885PRMT6 1127/4885LOXL2 2209/4885
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 PRKCI 3904/4885PRMT6 4101/4885LOXL2 1214/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 PRKCI 80/4885PRMT6 1127/4885LOXL2 2209/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 PRKCI 2455/4885PRMT6 3062/4885LOXL2 3022/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 PRKCI 3904/4885PRMT6 4101/4885LOXL2 1214/4885

“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.