SCHEMBL2201414

SCHEMBL2201414

COc1ccc(Cl)cc1-n1nc(C)c(C(=O)N2CCC(N3CCCC3)CC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 2/20 0.41
MBTD1 Q05BQ5 4/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TACR3 P29371 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL3404126 0.86 L3MBTL3 (0.48) L3MBTL3L3MBTL1KMT2ALMNAKDM4E
SCHEMBL3400065 0.86 L3MBTL3 (0.48) L3MBTL3L3MBTL1KMT2ALMNAKDM4E
SCHEMBL2201663 0.86 TACR1 (0.42) L3MBTL3L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL2202742 0.81 KMT2A (0.50) L3MBTL3L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL3400876 0.79 LMNA (0.48) L3MBTL3L3MBTL1KMT2ALMNAKDM4E
SCHEMBL2201040 0.77 CYP3A4 (0.50) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1
SCHEMBL2202595 0.77 LMNA (0.68) KMT2ALMNAKDM4EALDH1A1HTT
SCHEMBL3402648 0.75 L3MBTL3 (0.46) L3MBTL3L3MBTL1KMT2ALMNAALDH1A1
SCHEMBL2200316 0.75 KMT2A (0.44) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1
SCHEMBL2200314 0.75 KMT2A (0.44) L3MBTL3L3MBTL1KMT2AMBTD1TP53BP1

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 L3MBTL3 4146/4885L3MBTL1 4149/4885KMT2A 4057/4885

“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.