SCHEMBL1935684

SCHEMBL1935684

NCc1ccc(C2=NCCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.69
LMNA P02545 1/20 0.58
RECQL P46063 1/20 0.58
TOP2A P11388 2/20 0.56
TOP2B Q02880 2/20 0.56
HTR1D P28221 1/20 0.54
ADRA1A P35348 1/20 0.54

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 SCHEMBL1935511 0.98 NISCH (0.67) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL10928251 0.93 NISCH (0.67) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL1724885 0.86 NISCH (0.71) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL1935799 0.84 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
Hydrochloric Acid SCHEMBL1936470 0.84 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL5476725 0.84 NISCH (0.79) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL21672909 0.83 NISCH (0.72) NISCHLMNA
SCHEMBL25274077 0.81 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL3262379 0.81 NISCH (0.69) NISCHLMNARECQLTOP2ATOP2B
SCHEMBL8135426 0.81 NISCH (1.00) NISCHLMNARECQLTOP2ATOP2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-3604286-B1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL CO (JP) 2022-01-19 EP disclosed
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-14 US disclosed
US-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-10-29 US disclosed
EP-3604286-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD OF SAID COMPOUNDS OR SALTS THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2020-02-05 EP disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 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 (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-20200339516-A1 PHENYL IMIDAZOLINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, OR PHENYL TETRAHYDROPYRIMIDINE COMPOUND HAVING AMINOMETHYL GROUP OR SALT THEREOF, AND PRODUCTION METHOD FOR SUCH COMPOUNDS OR SALTS THEREOF JAK2, IL4I1, INMT NISCH 214/4885LMNA 4756/4885RECQL 3159/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 NISCH 167/4885LMNA 1562/4885RECQL 2952/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 337/4885LMNA 594/4885RECQL 1119/4885
US-11198676-B2 Phenyl imidazoline compound having aminomethyl group or salt thereof, or phenyl tetrahydropyrimidine compound having aminomethyl group or salt thereof, and production method for such compounds or salts thereof JAK2, IL4I1, INMT NISCH 214/4885LMNA 4756/4885RECQL 3159/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 317/4885LMNA 704/4885RECQL 1131/4885

“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.