SCHEMBL2199944

SCHEMBL2199944

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.46
NOTUM Q6P988 2/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NPY5R Q15761 8/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42

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
SCHEMBL2199917 0.87 POLB (0.51) POLBKMT2ALMNANOTUMNPY5R
SCHEMBL2200430 0.86 MAPT (0.49) POLBLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL2198847 0.85 NOTUM (0.47) POLBKMT2ANOTUMMAPTNPC1
SCHEMBL2198717 0.84 POLB (0.46) POLBKMT2ALMNAMAPTMEN1
SCHEMBL2202029 0.83 POLB (0.59) POLBKMT2ANOTUMMAPTSMN1; SMN2
SCHEMBL2201760 0.82 KMT2A (0.46) POLBKMT2ALMNANOTUMMAPT
SCHEMBL2202145 0.82 POLB (0.56) POLBKMT2ALMNANOTUMNPY5R
SCHEMBL2201156 0.81 KMT2A (0.45) POLBKMT2ALMNAMEN1
SCHEMBL2198464 0.79 KMT2A (0.46) POLBKMT2ALMNANOTUMMAPT
SCHEMBL2200100 0.79 KMT2A (0.48) POLBKMT2ALMNAMAPTMEN1

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 4350/4885KMT2A 4057/4885LMNA 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.