Sugi Predict

Sugi Predict / Compounds / SCHEMBL2201149

SCHEMBL2201149

SCHEMBL2201149

Cc1nn(-c2cccc(NC(=O)C(F)(F)F)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL3 Q96JM7 10/20 0.43
▸ L3MBTL1 Q9Y468 9/20 0.43
▸ NPY2R P49146 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SPR P35270 1/20 0.40
▸ L3MBTL4 Q8NA19 2/20 0.39
▸ TP53BP1 Q12888 2/20 0.39
▸ MBTD1 Q05BQ5 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PHF20 Q9BVI0 1/20 0.39
▸ MORF4L1 Q9UBU8 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ATR Q13535 1/20 0.39

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
SCHEMBL2201907 0.85 KMT2A (0.52) KMT2AL3MBTL3L3MBTL1L3MBTL4TP53BP1
SCHEMBL2201747 0.85 KMT2A (0.47) KMT2AL3MBTL3L3MBTL1LMNA
SCHEMBL2200707 0.85 KMT2A (0.52) KMT2AL3MBTL3L3MBTL1MBTD1TDP1
SCHEMBL2201429 0.84 KMT2A (0.46) KMT2AL3MBTL3L3MBTL1NPY2RLMNA
SCHEMBL2200230 0.83 L3MBTL3 (0.47) KMT2AL3MBTL3L3MBTL1L3MBTL4TP53BP1
SCHEMBL2202742 0.83 KMT2A (0.50) KMT2AL3MBTL3L3MBTL1L3MBTL4TP53BP1
SCHEMBL2202869 0.83 L3MBTL1 (0.48) KMT2AL3MBTL3L3MBTL1TDP1
SCHEMBL2197199 0.82 CYP3A4 (0.47) KMT2AL3MBTL3L3MBTL1L3MBTL4TP53BP1
Hydrochloric Acid SCHEMBL2201681 0.81 KMT2A (0.51) KMT2AL3MBTL3L3MBTL1L3MBTL4TP53BP1
SCHEMBL2203254 0.80 L3MBTL3 (0.46) KMT2AL3MBTL3L3MBTL1SPRL3MBTL4

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 9 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
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
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
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 4057/4885L3MBTL3 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.