SCHEMBL2200941

SCHEMBL2200941

Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 1/20 0.48
ELANE P08246 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL2199398 0.86 KMT2A (0.57) KMT2ANPSR1EPHX2MAPTTP53
SCHEMBL13973727 0.85 KMT2A (0.55) KMT2ATSHRLMNANPSR1POLB
SCHEMBL3404829 0.85 KMT2A (0.55) KMT2ATSHRHTTALDH1A1NPSR1
SCHEMBL3402331 0.84 KMT2A (0.64) KMT2ATSHRLMNAALDH1A1NPSR1
SCHEMBL2200588 0.83 KMT2A (0.51) KMT2ATSHRLMNAHTTALDH1A1
SCHEMBL2200093 0.83 KMT2A (0.48) KMT2ATSHRLMNAHTTALDH1A1
SCHEMBL2201747 0.81 KMT2A (0.47) KMT2ATSHRLMNAHTTALDH1A1
SCHEMBL2201429 0.81 KMT2A (0.46) KMT2ATSHRLMNAHTTALDH1A1
SCHEMBL2204278 0.80 KMT2A (0.46) KMT2ATSHRLMNAHTTALDH1A1
SCHEMBL2204251 0.79 ELANE (0.48) KMT2ATSHRLMNAHTTALDH1A1

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 6 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
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 KMT2A 4057/4885TSHR 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.