SCHEMBL2201211

SCHEMBL2201211

Cc1c(C(=O)N2CCC(N3CCCC3CO)CC2)c(-c2ccncc2)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
DDR1 Q08345 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL2201207 1.00 TRPV1 (0.41) TRPV1KMT2AMEN1MAPTMAPK1
SCHEMBL2201008 0.92 TRPV1 (0.39) TRPV1KMT2AMEN1MAPTMAPK1
SCHEMBL2201010 0.92 TRPV1 (0.39) TRPV1KMT2AMEN1MAPTMAPK1
SCHEMBL2200270 0.90 TRPV1 (0.40) TRPV1KMT2AMEN1MAPTMAPK1
SCHEMBL2200263 0.90 TRPV1 (0.40) TRPV1KMT2AMEN1MAPTMAPK1
SCHEMBL2198768 0.90 KMT2A (0.36) KMT2A
SCHEMBL2198775 0.90 KMT2A (0.36) KMT2A
SCHEMBL2202138 0.86 CYP2C9 (0.43) KMT2AMEN1POLBLMNACSF1R
SCHEMBL2200231 0.81 KMT2A (0.40) TRPV1KMT2AMEN1POLBLMNA
SCHEMBL2202594 0.81 KMT2A (0.40) TRPV1KMT2AMEN1POLBLMNA

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
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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 TRPV1 148/4885KMT2A 4057/4885MEN1 4450/4885

“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.