SCHEMBL2201779

SCHEMBL2201779

Cc1c(C(=O)O)c(-c2ccncc2)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.52
NOTUM Q6P988 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SRC P12931 1/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
NPY5R Q15761 8/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2201707 0.88 KMT2A (0.54) KMT2AMEN1POLBNOTUMMAPT
SCHEMBL2198107 0.86 MAPT (0.50) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL2201646 0.85 MEN1 (0.56) KMT2AMEN1MAPTMAPK1SRC
SCHEMBL2201760 0.83 KMT2A (0.46) KMT2AMEN1POLBNOTUMMAPT
SCHEMBL2202029 0.82 POLB (0.59) KMT2AMEN1POLBNOTUMMAPT
SCHEMBL2200696 0.81 POLB (0.58) KMT2AMEN1POLBNOTUMNPY5R
SCHEMBL2202138 0.80 CYP2C9 (0.43) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL15171044 0.78 NPY5R (0.52) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL2202145 0.76 POLB (0.56) KMT2APOLBNOTUMNPY5RLMNA
SCHEMBL16876788 0.76 RPA1 (0.58) KMT2AMEN1POLBNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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 (1 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 KMT2A 4057/4885MEN1 4450/4885POLB 4350/4885

“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.