SCHEMBL2198717

SCHEMBL2198717

Cc1nn(-c2cccc(C(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
CYP17A1 P05093 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
SCHEMBL2202684 0.88 KMT2A (0.44) KMT2AMAPT
SCHEMBL2201156 0.86 KMT2A (0.45) POLBTSHRLMNAALDH1A1HTT
SCHEMBL2199944 0.84 POLB (0.53) POLBLMNAKMT2AMEN1MAPT
SCHEMBL2199414 0.83 KMT2A (0.41) POLBTSHRLMNAALDH1A1HTT
SCHEMBL2200674 0.83 KMT2A (0.41) POLBTSHRLMNAALDH1A1HTT
SCHEMBL2199418 0.83 KMT2A (0.41) POLBTSHRLMNAALDH1A1HTT
SCHEMBL2200628 0.82 LMNA (0.40) POLBTSHRLMNATP53ALDH1A1
SCHEMBL2201262 0.82 LMNA (0.40) POLBTSHRLMNATP53ALDH1A1
SCHEMBL2200231 0.81 KMT2A (0.40) POLBTSHRLMNAALDH1A1HTT
SCHEMBL2202594 0.81 KMT2A (0.40) POLBTSHRLMNAALDH1A1HTT

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 4 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
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 POLB 4350/4885TSHR 572/4885LMNA 4701/4885

“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.