SCHEMBL2200316

SCHEMBL2200316

Cc1nn(-c2cccc(C=Cc3ccc(Cl)cc3)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL3 Q96JM7 12/20 0.42
L3MBTL1 Q9Y468 10/20 0.42
L3MBTL4 Q8NA19 2/20 0.41
MBTD1 Q05BQ5 3/20 0.40
MEN1 O00255 1/20 0.39
TP53BP1 Q12888 2/20 0.39
EPHX2 P34913 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL2200314 1.00 KMT2A (0.44) KMT2AL3MBTL3L3MBTL1L3MBTL4MBTD1
SCHEMBL2201503 0.99 KMT2A (0.43) KMT2AL3MBTL3L3MBTL1L3MBTL4MBTD1
SCHEMBL2201497 0.99 KMT2A (0.43) KMT2AL3MBTL3L3MBTL1L3MBTL4MBTD1
SCHEMBL2200600 0.93 KMT2A (0.46) KMT2AL3MBTL1MEN1MAPT
SCHEMBL2200597 0.93 KMT2A (0.46) KMT2AL3MBTL1MEN1MAPT
SCHEMBL2200656 0.92 EPHX2 (0.47) KMT2AL3MBTL3L3MBTL1MEN1EPHX2
SCHEMBL2200653 0.92 EPHX2 (0.47) KMT2AL3MBTL3L3MBTL1MEN1EPHX2
SCHEMBL12429457 0.92 KMT2A (0.40) KMT2AL3MBTL3L3MBTL1L3MBTL4MBTD1
SCHEMBL2202742 0.88 KMT2A (0.50) KMT2AL3MBTL3L3MBTL1L3MBTL4MBTD1
SCHEMBL2200192 0.88 MCHR1 (0.42) KMT2AL3MBTL1MEN1EPHX2MAPT

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 2 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-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 4057/4885L3MBTL3 4146/4885L3MBTL1 4149/4885

“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.