SCHEMBL2201185

SCHEMBL2201185

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)c(C2CC2)nn1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 4/20 0.42
L3MBTL3 Q96JM7 7/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD11B1 P28845 1/20 0.40
NPY5R Q15761 1/20 0.40
MGLL Q99685 1/20 0.40
MCHR1 Q99705 1/20 0.40
NOTUM Q6P988 1/20 0.39
SCN9A Q15858 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
SCHEMBL2201297 0.91 L3MBTL3 (0.43) MAPK7L3MBTL3L3MBTL1HSD11B1MGLL
SCHEMBL2201907 0.90 KMT2A (0.52) L3MBTL3L3MBTL1KMT2ACYP2D6CYP2C19
SCHEMBL2200707 0.89 KMT2A (0.52) L3MBTL3L3MBTL1KMT2ACYP2D6CYP2C19
SCHEMBL2199954 0.88 KMT2A (0.44) L3MBTL3L3MBTL1KMT2ANPSR1
SCHEMBL2202253 0.87 L3MBTL3 (0.43) MAPK7L3MBTL3L3MBTL1KMT2ACYP2D6
SCHEMBL2202605 0.85 KMT2A (0.42) MAPK7L3MBTL3L3MBTL1KMT2ACYP2D6
SCHEMBL3695155 0.85 CYP2C9 (0.42) L3MBTL3L3MBTL1KMT2ACYP2D6CYP2C19
SCHEMBL2206255 0.84 KMT2A (0.39) MAPK7L3MBTL3L3MBTL1KMT2ACYP2D6
SCHEMBL2203158 0.83 KMT2A (0.51) MAPK7KMT2ANPSR1HSD11B1NPY5R
SCHEMBL2200244 0.83 KMT2A (0.55) KMT2ANPSR1NPY5RNOTUMSCN9A

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 MAPK7 1141/4885L3MBTL3 4146/4885L3MBTL1 4149/4885

“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.