SCHEMBL701571

SCHEMBL701571

O=c1cc(Br)c(-c2ccccc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS1 P23219 2/20 0.49
DCLK1 O15075 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
CSF1R P07333 1/20 0.49
FER P16591 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
MAPK9 P45984 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK1G2 P78368 1/20 0.49
MAP4K2 Q12851 1/20 0.49

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
SCHEMBL2474844 0.82 HPGD (0.70) HPGDATMNPSR1PTGS1DCLK1
SCHEMBL2510840 0.82 MEN1 (0.50) HPGDCYP1A2ALDH1A1KDM4ENPC1
SCHEMBL11144936 0.78 HPGD (0.64) HPGDATMNPSR1PTGS1DCLK1
SCHEMBL10288495 0.78 HPGD (0.64) HPGDATMNPSR1PTGS1DCLK1
SCHEMBL8898020 0.78 HPGD (0.64) HPGDATMNPSR1PTGS1NTRK3
SCHEMBL1550943 0.78 HPGD (1.00) HPGDATMNPSR1PTGS1DCLK1
SCHEMBL11143644 0.75 PTGS1 (0.65) HPGDATMNPSR1PTGS1CYP1A2
SCHEMBL11396639 0.75 HPGD (0.60) HPGDATMNPSR1PTGS1FLT3
SCHEMBL11142813 0.74 HPGD (0.58) HPGDATMNPSR1PTGS1MAP4K4
SCHEMBL11144065 0.74 HPGD (0.58) HPGDATMNPSR1PTGS1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120240-A FXIa inhibitor compound, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-05-16 CN disclosed
CN-114206854-B FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-24 CN disclosed
US-20230027295-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2023-01-26 US disclosed
EP-4036087-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Shenzhen Salubris Pharmaceuticals Co. Ltd (CN) 2022-08-03 EP disclosed
CN-114206854-A FXIa inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-03-18 CN disclosed
WO-2021057818-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-04-01 WO disclosed
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2020-10-06 US disclosed
EP-3191491-B1 PYRIDAZINONE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-09-04 EP disclosed
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-08-15 US disclosed
WO-2008019266-A2 ACYCLIC, PYRIDAZINONE-DERIVED HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2008019303-A2 PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
CN-1771050-A macrocyclic inhibitors of hepatitis c serine protease ENANTA PHARM INC (US) 2006-05-10 CN disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
US-4008086-A PYRIDONE OR PYRIDAZONE DERIVATIVES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 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 (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-20230027295-A1 FXIA INHIBITORS AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF F11, TFPI, F7 HPGD 1092/4885ATM 4379/4885NPSR1 2164/4885
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators PTGIR, PTGIS, TBXA2R HPGD 125/4885ATM 1837/4885NPSR1 612/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 HPGD 1076/4885ATM 4056/4885NPSR1 2012/4885
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 HPGD 703/4885ATM 4253/4885NPSR1 2424/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 HPGD 136/4885ATM 1581/4885NPSR1 872/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R HPGD 125/4885ATM 1837/4885NPSR1 612/4885

“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.