SCHEMBL1924656

SCHEMBL1924656

Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.54
PLOD3 O60568 2/20 0.49
PLOD1 Q02809 2/20 0.49
ADCY8 P40145 3/20 0.42
ADCY1 Q08828 3/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD4 P21917 1/20 0.38
NOTUM Q6P988 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL1349593 0.88 PLOD2 (0.54) PLOD2PLOD3PLOD1NPSR1MEN1
SCHEMBL4587759 0.85 PLOD2 (0.59) PLOD2PLOD3PLOD1NPSR1MEN1
SCHEMBL1925145 0.85 PLOD2 (0.59) PLOD2PLOD3PLOD1NPSR1MEN1
SCHEMBL1924352 0.83 PLOD2 (0.60) PLOD2PLOD3PLOD1TAS1R3TAS1R1
SCHEMBL6313753 0.83 PLOD2 (0.56) PLOD2PLOD3PLOD1TAS2R14NPSR1
SCHEMBL7787247 0.81 GSK3B (0.54) ADCY8ADCY1TAS2R14GPBAR1NPSR1
SCHEMBL1924261 0.79 PLOD2 (0.60) PLOD2PLOD3PLOD1NOTUMTAS1R3
SCHEMBL1925511 0.79 RXRA (0.50) PLOD2PLOD3PLOD1MEN1NPC1
SCHEMBL1348683 0.78 PLOD2 (0.54) PLOD2PLOD3PLOD1MEN1RAB9A
SCHEMBL27803229 0.78 HTT (0.48) ADCY8ADCY1TAS2R14GPBAR1NPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885PLOD3 3474/4885PLOD1 3848/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PLOD2 3738/4885PLOD3 3474/4885PLOD1 3848/4885

“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.