SCHEMBL313164

SCHEMBL313164

O=C(CC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.70
PLOD3 O60568 2/20 0.68
PLOD1 Q02809 2/20 0.68
PTPN1 P18031 2/20 0.66
GSK3B P49841 2/20 0.61
MMP1 P03956 1/20 0.57
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HSD11B1 P28845 1/20 0.49
SRD5A2 P31213 1/20 0.48
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
PDPK1 O15530 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL5676017 0.95 PLOD2 (0.64) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL29987081 0.88 PTPN1 (0.75) PLOD2PTPN1GSK3BMMP1CES2
SCHEMBL31019373 0.85 PTPN1 (0.62) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL19919893 0.85 PTPN1 (0.67) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL28718057 0.85 PLOD2 (0.66) PLOD2PLOD3PLOD1PTPN1HDAC1
SCHEMBL31492946 0.83 RXRA (0.61) PLOD2PLOD3PLOD1PTPN1GSK3B
SCHEMBL1643579 0.82 PTPN1 (0.73) PTPN1GSK3BMMP1CES2CES1
SCHEMBL711849 0.82 PLOD2 (1.00) PLOD2PLOD3PLOD1PTPN1CES2
SCHEMBL1095373 0.82 PLOD2 (0.72) PLOD2PLOD3PLOD1PTPN1ALDH1A1
SCHEMBL10875483 0.82 PTPN1 (0.58) PLOD2PLOD3PLOD1PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271261-A Dicarbonyl compound containing cyclobutane segment and synthesis method thereof 中国科学技术大学 2024-07-02 CN disclosed
US-9447099-B2 Methods for the preparation of 5-[2-[7 (trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo [1,5-A]pyrimidin-3-yl[ethynyl]-2-pyridinamine HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-9447099-B2 Methods for the preparation of 5-[2-[7 (trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo [1,5-A]pyrimidin-3-yl[ethynyl]-2-pyridinamine HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
WO-2013050310-A1 METHODS FOR THE PREPARATION OF 5-[2-[7-(TRIFLUOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130085278-A1 METHODS FOR THE PREPARATION OF 5-[2-[7 (TRIFLUOROMETHYL)-5-[4- (TRIFLUOROMETHYL)PHENYL]PYRAZOLO [1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE Hoffmann-La Roche Inc (US) 2013-04-04 US disclosed
US-20130085278-A1 METHODS FOR THE PREPARATION OF 5-[2-[7 (TRIFLUOROMETHYL)-5-[4- (TRIFLUOROMETHYL)PHENYL]PYRAZOLO [1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE Hoffmann-La Roche Inc (US) 2013-04-04 US disclosed
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-1417177-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-11 US disclosed
US-6593356-B2 The present invention relates to the synthesis of a new class of indeno(1,2-c)pyrazol-4-ones of formula (I): that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-7 and the BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-15 US disclosed
US-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 US disclosed
WO-2003007883-A2 ACYLSEMICARBAZIDES AS CYCLIN DEPENDENT KINASE INHIBITORS USEFUL AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-30 WO disclosed
US-6413957-B1 CYCLIN DEPENDANT KINASES INHIBITORS; CONTROLLING CELL GROWTH AND DIFFERENTIATION; CANCER, PSORIASIS, LEUKOCYTE IMMUNO-LOGICAL DISORDERS, RESTINOSIS AND OTHER SMOOTH MUSCLE CELL DISORDERS BRISTOL-MYERS SUIBB PHARMA COMPANY 2002-07-02 US disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 PLOD2 3844/4885PLOD3 4497/4885PLOD1 2516/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885PLOD3 3474/4885PLOD1 3848/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 PLOD2 3451/4885PLOD3 4424/4885PLOD1 2330/4885
US-20030073686-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 PLOD2 3841/4885PLOD3 4628/4885PLOD1 2520/4885
US-20130085278-A1 METHODS FOR THE PREPARATION OF 5-[2-[7 (TRIFLUOROMETHYL)-5-[4- (TRIFLUOROMETHYL)PHENYL]PYRAZOLO [1,5-A]PYRIMIDIN-3-YL]ETHYNYL]-2-PYRIDINAMINE HTR5A, TPH1, GRIK5 PLOD2 894/4885PLOD3 3265/4885PLOD1 1245/4885
US-20040048844-A1 Acylsemicarbazides as cyclin dependent kinase inhibitors useful as anti-cancer and anti-proliferative agents CDK1, CCNA1, CDK17 PLOD2 3841/4885PLOD3 4628/4885PLOD1 2520/4885

“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.