SCHEMBL456812

SCHEMBL456812

CC=CCc1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
NCF1 P14598 3/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
PDE10A Q9Y233 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5093242 1.00 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL6535913 0.85 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL9287417 0.85 CYP1A2 (0.49) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL1115865 0.81 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL8754663 0.81 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL5510083 0.81 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL8754671 0.81 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL6525088 0.80 CYSLTR1 (0.52) CYP1A2CYSLTR1CYSLTR2NCF1NOS2
SCHEMBL17500352 0.80 CYSLTR1 (0.49) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL17227498 0.79 CYSLTR1 (0.50) CYP1A2CYSLTR1CYSLTR2NCF1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712485-B2 Triazine based radiopharmaceuticals and radioimaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2023-08-01 US disclosed
US-11389464-B2 Arginase inhibitors as therapeutics MARS, INCORPORATED (US) 2022-07-19 US disclosed
EP-3939972-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS Molecular Insight Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed
US-20210338850-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2021-11-04 US disclosed
EP-3545978-B1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS MOLECULAR INSIGHT PHARM INC (US) 2021-09-08 EP disclosed
US-10898598-B2 Triazine based radiopharmaceuticals and radioimaging agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2021-01-26 US disclosed
EP-3719024-A1 ARGINASE INHIBITORS AS THERAPEUTICS Mars, Incorporated (US) 2020-10-07 EP disclosed
US-20200246362-A1 Arginase Inhibitors as Therapeutics MARS, INCORPORATED 2020-08-06 US disclosed
CN-106008569-B9 Borate as arginase inhibitor and composition and application thereof 马尔斯公司 2020-05-22 CN disclosed
EP-3034509-B1 ARGINASE INHIBITORS AS THERAPEUTICS MARS INC (US) 2020-04-22 EP disclosed
US-20120129806-A1 ARGINASE INHIBITORS AS THERAPEUTICS MARS, INCORPORATED 2012-05-24 US disclosed
WO-2012058065-A1 BORONATES AS ARGINASE INHIBITORS MARS INCORPORATED (US) 2012-05-03 WO disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
WO-2012033525-A2 P53-MDM2 ANTAGONISTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-15 WO disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 WO disclosed
EP-1351940-B1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INST RECH DEVELOPPEMENT IRD (FR) 2007-07-25 EP disclosed
EP-1351940-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS Institut de Recherche pour le Développement ( IRD) (FR) 2003-10-15 EP disclosed
WO-2002057238-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (IRD) (FR) 2002-07-25 WO disclosed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 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 (7 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-11389464-B2 Arginase inhibitors as therapeutics ARG1, ARG2, PRMT1 CYP1A2 423/4885CYSLTR1 1183/4885CYSLTR2 1362/4885
US-20210338850-A1 TRIAZINE BASED RADIOPHARMACEUTICALS AND RADIOIMAGING AGENTS PSMA2, PSMA5, PSMA1 CYP1A2 2286/4885CYSLTR1 2047/4885CYSLTR2 1610/4885
US-10898598-B2 Triazine based radiopharmaceuticals and radioimaging agents PSMA2, PSMA5, PSMA1 CYP1A2 2286/4885CYSLTR1 2047/4885CYSLTR2 1610/4885
US-11712485-B2 Triazine based radiopharmaceuticals and radioimaging agents PSMA2, PSMA5, PSMA1 CYP1A2 2286/4885CYSLTR1 2047/4885CYSLTR2 1610/4885
US-20120129806-A1 ARGINASE INHIBITORS AS THERAPEUTICS ARG1, ARG2, PRMT1 CYP1A2 423/4885CYSLTR1 1183/4885CYSLTR2 1362/4885
US-20200246362-A1 Arginase Inhibitors as Therapeutics ARG1, ARG2, PRMT1 CYP1A2 423/4885CYSLTR1 1183/4885CYSLTR2 1362/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CYP1A2 490/4885CYSLTR1 2092/4885CYSLTR2 2384/4885

“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.