SCHEMBL2201760

SCHEMBL2201760

O=C(O)c1c(-c2ccncc2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 3/20 0.43
CYP17A1 P05093 1/20 0.42
SRC P12931 2/20 0.42
KDR P35968 2/20 0.42
BRAF P15056 1/20 0.42
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MGLL Q99685 1/20 0.40
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
NPY5R Q15761 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
SCHEMBL2198464 0.89 KMT2A (0.46) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL2202900 0.87 NOTUM (0.43) SRCKDRBRAFNOTUM
SCHEMBL2200296 0.86 MAPT (0.46) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL2201779 0.83 KMT2A (0.58) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL12429747 0.83 CYP2C9 (0.42) KMT2AMEN1CYP17A1ALDH1A1LMNA
SCHEMBL2199917 0.83 POLB (0.51) KMT2APOLBNOTUMLMNAMGLL
SCHEMBL2199944 0.82 POLB (0.53) KMT2AMEN1MAPTPOLBNOTUM
SCHEMBL2200270 0.79 TRPV1 (0.40) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL2200263 0.79 TRPV1 (0.40) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL2201600 0.78 MAPT (0.44) KMT2AMEN1MAPTMAPK1CYP17A1

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 4450/4885MAPT 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.