SCHEMBL570730

SCHEMBL570730

O=C(Cc1cccc(F)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR4A2 P43354 2/20 0.51
SLC1A1 P43005 2/20 0.50
SRD5A2 P31213 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
GPR52 Q9Y2T5 1/20 0.50
SRC P12931 1/20 0.49
CNR2 P34972 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL1515848 0.89 CES2 (0.55) MAPTL3MBTL1NR4A2SRD5A2CES2
SCHEMBL11633589 0.87 MAPT (0.60) MAPTL3MBTL1SRD5A2CES1NPC1
SCHEMBL4745782 0.85 MAPT (0.50) MAPTL3MBTL1NR4A2SRD5A2CES1
SCHEMBL27557474 0.85 SLC1A1 (0.43) MAPTL3MBTL1NR4A2SLC1A1CES2
SCHEMBL22733363 0.85 NR4A2 (0.46) MAPTL3MBTL1NR4A2SLC1A1SRD5A2
SCHEMBL6511713 0.85 GSK3B (0.46) MAPTL3MBTL1NR4A2SLC1A1SRD5A2
SCHEMBL8956315 0.85 L3MBTL1 (0.65) MAPTL3MBTL1NR4A2SRCNPC1
SCHEMBL3283011 0.83 KCNK3 (0.51) MAPTCES2CES1NPC1HPGD
SCHEMBL29580879 0.83 NPC1 (0.54) MAPTL3MBTL1NR4A2CES2CES1
SCHEMBL9788780 0.83 NPC1 (0.54) MAPTL3MBTL1NR4A2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109836350-A The environment-friendly preparation method of Atorvastatin key intermediate 江苏暨明医药科技有限公司 2019-06-04 CN claimed
US-8815940-B2 Coumarin-chalcones as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-26 US claimed
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-08-15 US claimed
EP-2601183-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS Council Of Scientific & Industrial Research (IN) 2013-06-12 EP claimed
WO-2012017454-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-02-09 WO claimed
CN-115572244-B 2' -Aryl chalcone compound, preparation method and application thereof in pharmacy 复旦大学 2024-04-30 CN disclosed
CN-115572244-A 2' -aryl chalcone compound, preparation method and application thereof in pharmacy 复旦大学 2023-01-06 CN disclosed
EP-3342767-B1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2021-04-14 EP disclosed
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-17 US 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
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 US disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2005-10-06 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 US disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 WO disclosed
US-5532374-A Method of preparation of bis-quinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-07-02 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 (8 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-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators PTGIR, PTGIS, TBXA2R MAPT 3321/4885L3MBTL1 4825/4885NR4A2 1096/4885
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A MAPT 1950/4885L3MBTL1 4685/4885NR4A2 576/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A MAPT 3090/4885L3MBTL1 4774/4885NR4A2 875/4885
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto PTGIR, PTGIS, PTGER1 MAPT 2657/4885L3MBTL1 4819/4885NR4A2 2235/4885
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 MAPT 2657/4885L3MBTL1 4819/4885NR4A2 2235/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B MAPT 4403/4885L3MBTL1 4693/4885NR4A2 579/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R MAPT 3321/4885L3MBTL1 4825/4885NR4A2 1096/4885
US-20130210909-A1 COUMARIN-CHALCONES AS ANTICANCER AGENTS HCCS, XPO5, CIAPIN1 MAPT 3772/4885L3MBTL1 4296/4885NR4A2 4155/4885

“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.