SCHEMBL2199062

SCHEMBL2199062

O=C(NNc1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 7/20 0.56
GAA P10253 5/20 0.56
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 1/20 0.53
XBP1 P17861 1/20 0.51
HPGD P15428 1/20 0.51
KIF11 P52732 1/20 0.50
ALOX12 P18054 1/20 0.49
ATM Q13315 1/20 0.49
GRIK1 P39086 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL20984529 0.86 MAPT (0.58) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL15541465 0.85 MAPT (0.61) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL11798167 0.83 KIF11 (0.61) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL2883710 0.83 MAPT (0.68) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL2925587 0.80 MAPT (0.58) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL29748950 0.80 MAPT (0.58) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL28020270 0.80 KCNK3 (0.65) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL19639788 0.80 ALDH1A1 (0.57) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL2231647 0.78 GAA (0.58) ALDH1A1GAASMN1; SMN2ALOX12
SCHEMBL15540945 0.77 RXFP1 (0.62) MAPTALDH1A1GAAHTTNPSR1

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 MAPT 4214/4885ALDH1A1 1476/4885GAA 4632/4885

“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.