SCHEMBL2201648

SCHEMBL2201648

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C)c1C(=O)N1CCC(NC2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
PIM1 P11309 4/20 0.45
CSNK1E P49674 1/20 0.40
CNR2 P34972 1/20 0.40
NPY5R Q15761 1/20 0.40
HSD11B1 P28845 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
MGLL Q99685 1/20 0.39
PIM3 Q86V86 1/20 0.39
SLC5A1 P13866 1/20 0.39

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
SCHEMBL2203346 0.96 KMT2A (0.45) KMT2APIM1CSNK1ENPY5REPHX2
SCHEMBL2203058 0.92 KMT2A (0.52) KMT2APIM1NPY5RHSD11B1MAPT
SCHEMBL2201440 0.88 CCR2 (0.48) KMT2A
SCHEMBL12429649 0.88 CCR2 (0.48) KMT2A
SCHEMBL2201437 0.88 CCR2 (0.48) KMT2A
SCHEMBL2201434 0.88 CCR2 (0.48) KMT2A
SCHEMBL2202045 0.88 KMT2A (0.47) KMT2APIM1NPY5RMAPTRAB9A
SCHEMBL2199925 0.87 KMT2A (0.50) KMT2ACNR2HSD11B1MAPTRAB9A
SCHEMBL2203102 0.83 KMT2A (0.45) KMT2APIM1NPY5RMAPTRAB9A
SCHEMBL2203098 0.83 KMT2A (0.45) KMT2APIM1NPY5RMAPTRAB9A

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 4057/4885PIM1 2209/4885CSNK1E 761/4885

“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.