SCHEMBL2201325

SCHEMBL2201325

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)c(-c2cncnc2)nn1-c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 18/20 0.40
▸ L3MBTL1 Q9Y468 17/20 0.40
▸ L3MBTL4 Q8NA19 4/20 0.40
▸ MBTD1 Q05BQ5 8/20 0.38
▸ TP53BP1 Q12888 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL2201696 0.87 SPR (0.34) —
SCHEMBL2201690 0.87 SPR (0.34) —
SCHEMBL2198588 0.86 KMT2A (0.43) L3MBTL3L3MBTL1
SCHEMBL2206255 0.83 KMT2A (0.39) L3MBTL3L3MBTL1CYP2C9
SCHEMBL2202640 0.81 MEN1 (0.46) —
SCHEMBL2198972 0.79 CYP2C9 (0.39) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL2203254 0.78 L3MBTL3 (0.46) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL2200984 0.77 PDE4D (0.41) L3MBTL1CYP2C9
SCHEMBL2202138 0.77 CYP2C9 (0.43) L3MBTL3L3MBTL1CYP2C9
SCHEMBL3762115 0.76 SPR (0.30) —

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
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
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 L3MBTL3 4146/4885L3MBTL1 4149/4885L3MBTL4 4547/4885

“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.

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