SCHEMBL2201603

SCHEMBL2201603

COC(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPY5R Q15761 7/20 0.46
TP53 P04637 1/20 0.45
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44

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
SCHEMBL2200701 0.87 POLB (0.55) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL2201495 0.76 KMT2A (0.44) KMT2AMEN1NPSR1POLBLMNA
SCHEMBL2201286 0.75 PDE4D (0.67) MAPTNPSR1POLBLMNASMN1; SMN2
SCHEMBL2202029 0.75 POLB (0.59) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL31633048 0.75 KMT2A (0.48) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL1303722 0.74 POLB (0.55) KMT2AMAPTPOLBLMNASMN1; SMN2
SCHEMBL2198785 0.73 POLB (0.52) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL2201988 0.73 MAPT (0.50) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL15171044 0.73 NPY5R (0.52) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL2200100 0.72 KMT2A (0.48) KMT2AMEN1MAPTNPSR1POLB

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 4 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
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 4450/4885MAPT 4214/4885

“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.