SCHEMBL2199398

SCHEMBL2199398

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
EPHX2 P34913 2/20 0.46
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPY5R Q15761 1/20 0.42
PIM1 P11309 1/20 0.41
CCKAR P32238 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SCN9A Q15858 1/20 0.40
SLC6A7 Q99884 1/20 0.40
TP53 P04637 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 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
SCHEMBL2200941 0.86 KMT2A (0.52) KMT2AEPHX2MAPTNPSR1TP53
SCHEMBL2200196 0.86 KMT2A (0.57) KMT2AMAPTRAB9ANPSR1NPY5R
SCHEMBL2200244 0.84 KMT2A (0.55) KMT2AMAPTRAB9ANPSR1NPY5R
SCHEMBL13973727 0.83 KMT2A (0.55) KMT2AMAPTRAB9ANPSR1PDE4B
SCHEMBL3404829 0.83 KMT2A (0.55) KMT2AMAPTNPSR1HRH3
SCHEMBL2197635 0.83 KMT2A (0.53) KMT2AMAPTRAB9ANPSR1NPY5R
SCHEMBL2199775 0.82 KMT2A (0.52) KMT2AMAPTRAB9ANPSR1NPY5R
SCHEMBL2201907 0.82 KMT2A (0.52) KMT2AMAPTRAB9ANPSR1SCN9A
SCHEMBL3402331 0.82 KMT2A (0.64) KMT2AMAPTRAB9ANPSR1PDE4D
SCHEMBL2200707 0.81 KMT2A (0.52) KMT2AMAPTRAB9ANPSR1

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
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

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 4057/4885DRD2 1088/4885DRD3 751/4885

“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.