SCHEMBL2200244

SCHEMBL2200244

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C)c1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCKAR P32238 1/20 0.41
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
SCN9A Q15858 1/20 0.41
HTT P42858 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL2201907 0.93 KMT2A (0.52) KMT2AMAPTRAB9ANPSR1NOTUM
SCHEMBL2200707 0.92 KMT2A (0.52) KMT2AMAPTRAB9ANPSR1MEN1
SCHEMBL2203158 0.89 KMT2A (0.51) KMT2AMAPTRAB9ANPSR1CCKAR
SCHEMBL2199925 0.88 KMT2A (0.50) KMT2AMAPTRAB9ANPSR1MEN1
SCHEMBL2200588 0.87 KMT2A (0.51) KMT2ANPSR1POLBMEN1HTT
SCHEMBL2203058 0.86 KMT2A (0.52) KMT2AMAPTRAB9ANPSR1NOTUM
SCHEMBL2199934 0.86 KMT2A (0.48) KMT2AMAPTRAB9ANPSR1CCKAR
SCHEMBL2202064 0.86 KMT2A (0.49) KMT2AMAPTRAB9ANPSR1CCKAR
SCHEMBL2199358 0.86 KMT2A (0.49) KMT2AMAPTRAB9ANPSR1CCKAR
SCHEMBL2201084 0.86 KMT2A (0.49) KMT2AMAPTRAB9ANPSR1CCKAR

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 6 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
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US 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 4057/4885MAPT 4214/4885RAB9A 3187/4885

“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.