SCHEMBL2200100

SCHEMBL2200100

COC(=O)c1c(C2CC2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPY5R Q15761 12/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL2203173 0.88 NPY5R (0.45) NPY5R
SCHEMBL2199917 0.87 POLB (0.51) KMT2ANPY5RLMNAPOLB
SCHEMBL2201600 0.82 MAPT (0.44) KMT2AMEN1MAPTNPSR1NPY5R
SCHEMBL2200200 0.80 TSHR (0.44) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL2200430 0.79 MAPT (0.49) MAPTNPSR1NPY5RLMNATP53
SCHEMBL2199944 0.79 POLB (0.53) KMT2AMEN1MAPTNPY5RLMNA
SCHEMBL2202145 0.79 POLB (0.56) KMT2ANPY5RLMNAPOLB
SCHEMBL2201524 0.77 TSHR (0.46) KMT2AMEN1NPSR1LMNAPOLB
SCHEMBL2202958 0.77 L3MBTL1 (0.44) KMT2AMEN1NPSR1LMNAPOLB
SCHEMBL2201528 0.77 NOTUM (0.48) NPY5R

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.