SCHEMBL2200707

SCHEMBL2200707

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C)c1C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL3 Q96JM7 8/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
TDP1 Q9NUW8 1/20 0.42
MBTD1 Q05BQ5 4/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 1/20 0.41

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 0.99 KMT2A (0.52) KMT2ANPSR1CYP2D6CYP2C19L3MBTL3
SCHEMBL2203158 0.92 KMT2A (0.51) KMT2ANPSR1HSD11B1MAPTRAB9A
SCHEMBL2200244 0.92 KMT2A (0.55) KMT2ANPSR1MAPTRAB9AMEN1
SCHEMBL2199925 0.91 KMT2A (0.50) KMT2ANPSR1L3MBTL3L3MBTL1HSD11B1
SCHEMBL2199934 0.91 KMT2A (0.48) KMT2ANPSR1L3MBTL1HSD11B1MAPT
SCHEMBL2202253 0.90 L3MBTL3 (0.43) KMT2ANPSR1CYP2D6CYP2C19L3MBTL3
SCHEMBL2201185 0.89 MAPK7 (0.42) KMT2ANPSR1CYP2D6CYP2C19L3MBTL3
SCHEMBL2197806 0.89 CACNA2D1 (0.46) KMT2AL3MBTL3L3MBTL1MBTD1
SCHEMBL2201084 0.89 KMT2A (0.49) KMT2ANPSR1HSD11B1MAPTRAB9A
SCHEMBL2199358 0.89 KMT2A (0.49) KMT2ANPSR1HSD11B1MAPTRAB9A

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 4057/4885NPSR1 431/4885CYP2D6 1221/4885

“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.