SCHEMBL2111804

SCHEMBL2111804

NCc1cc(-c2ccccc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
LOXL2 Q9Y4K0 5/20 0.44
TAAR1 Q96RJ0 1/20 0.43
NOTUM Q6P988 2/20 0.43
ASIC3 Q9UHC3 2/20 0.41
SREBF2 Q12772 1/20 0.41
PIK3CA P42336 1/20 0.40
HRH1 P35367 1/20 0.39
MAOA P21397 1/20 0.39
FDPS P14324 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
LOX P28300 1/20 0.38

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
SCHEMBL210009 0.81 PIK3CA (0.33) PLAULOXL2PIK3CALOX
Hydrochloric Acid SCHEMBL8351731 0.80 HRH1 (0.49) PLAULOXL2TAAR1NOTUMASIC3
SCHEMBL3711754 0.80 PLAU (0.47) PLAUNOTUMSREBF2PIK3CAFDPS
SCHEMBL8257156 0.80 SREBF2 (0.48) PLAUNOTUMSREBF2PIK3CAFDPS
SCHEMBL7387315 0.80 PLAU (0.43) PLAUNOTUMASIC3SREBF2PIK3CA
SCHEMBL29935002 0.80 PLAU (0.47) PLAUNOTUMSREBF2PIK3CAFDPS
SCHEMBL2125037 0.79 PRMT5 (0.46) LOXL2ASIC3PIK3CAHRH1
Iodide SCHEMBL21332483 0.78 PLAU (0.42) PLAUNOTUMASIC3SREBF2PIK3CA
Hydrochloric Acid SCHEMBL9413204 0.78 PLAU (0.42) PLAUNOTUMASIC3SREBF2PIK3CA
SCHEMBL9116683 0.77 NOTUM (0.56) TAAR1NOTUMASIC3HRH1MAOA

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
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed
US-7332608-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-19 US disclosed
US-7235690-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-24 US disclosed
US-20030187033-A1 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-02 US disclosed
EP-0189678-B1 ELECTROCHEMICAL REDUCTIONS OF PYRIDINE CARBOXAMIDE BASES REILLY INDUSTRIES, INC. (US) 1991-11-06 EP disclosed
EP-0161737-B1 ELECTROCHEMICAL REDUCTIONS OF CYANOPYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1991-06-05 EP disclosed
EP-0237908-B1 PYRIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1990-08-29 EP disclosed
US-4906642-A Pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-03-06 US disclosed
EP-0237908-A2 Pyridine derivatives MERCK PATENT GmbH (DE) 1987-09-23 EP disclosed
US-4695352-A Electrochemical reduction of pyridine carboxamide bases REILLY TAR & CHEMICAL CORPORATION (US) 1987-09-22 US disclosed
EP-0189678-A1 Electrochemical reductions of pyridine carboxamide bases REILLY INDUSTRIES, INC. (US) 1986-08-06 EP disclosed
EP-0161737-A1 Electrochemical reductions of cyanopyridine bases REILLY INDUSTRIES, INC. (US) 1985-11-21 EP disclosed
US-4482437-A Electrochemical reductions of cyanopyridine bases REILLY TAR & CHEMICAL CORP. (US) 1984-11-13 US disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed
US-4008326-A INCREASING PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-02-15 US 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 (3 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-20080312278-A1 Hydroxyquinoline Derivatives MKI67, CCNT1, CCNY PLAU 4774/4885LOXL2 2132/4885TAAR1 2253/4885
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE KCNH1, KCNH2, KCNJ2 PLAU 3960/4885LOXL2 4392/4885TAAR1 1313/4885
US-20030187033-A1 Anthranilamides and methods of their use KCNH1, KCNJ2, KCNH2 PLAU 4303/4885LOXL2 4412/4885TAAR1 1216/4885

“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.