SCHEMBL2201653

SCHEMBL2201653

O=C(c1c(C2CC2)nn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCC(N2CCCC(O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.38
MGLL Q99685 1/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
IDH2 P48735 1/20 0.38

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
SCHEMBL2202958 0.91 L3MBTL1 (0.44) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2201595 0.91 L3MBTL3 (0.43) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2201538 0.90 ALDH1A1 (0.42) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2201524 0.86 TSHR (0.46) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2199414 0.86 KMT2A (0.41) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2199418 0.86 KMT2A (0.41) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2200674 0.86 KMT2A (0.41) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2202061 0.85 ALDH1A1 (0.43) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2199954 0.82 KMT2A (0.44) KMT2ATSHRALDH1A1LMNAHTT
SCHEMBL2201156 0.82 KMT2A (0.45) KMT2ATSHRALDH1A1LMNAHTT

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
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

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 572/4885ALDH1A1 1476/4885

“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.