SCHEMBL2202045

SCHEMBL2202045

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C)c1C(=O)N1CCC(NC2CCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.43
NOTUM Q6P988 1/20 0.41
SCN9A Q15858 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
NPY5R Q15761 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASR P41180 4/20 0.39
PIM1 P11309 2/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
SLC5A1 P13866 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
SCHEMBL2203058 0.96 KMT2A (0.52) KMT2ARECQLNOTUMSCN9ASCN10A
SCHEMBL2203346 0.93 KMT2A (0.45) KMT2ANOTUMSCN9ASCN10ANPY5R
SCHEMBL2201648 0.88 KMT2A (0.49) KMT2ANPY5RMAPTRAB9ANPSR1
SCHEMBL27788063 0.83 KMT2A (0.49) KMT2ANOTUMSCN9ASCN10ANPY5R
SCHEMBL2200303 0.83 KMT2A (0.44) KMT2ARECQLNOTUMSCN9ASCN10A
SCHEMBL2200244 0.82 KMT2A (0.55) KMT2ANOTUMSCN9ANPY5RMAPT
SCHEMBL2201907 0.82 KMT2A (0.52) KMT2ANOTUMSCN9AMAPTRAB9A
SCHEMBL2200867 0.82 KMT2A (0.47) KMT2ARECQLNOTUMSCN9ASCN10A
SCHEMBL2201420 0.82 KMT2A (0.47) KMT2ARECQLNOTUMSCN9ASCN10A
SCHEMBL2201606 0.82 KMT2A (0.47) KMT2ARECQLNOTUMSCN9ASCN10A

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 4057/4885RECQL 1630/4885NOTUM 4406/4885

“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.