SCHEMBL2202869

SCHEMBL2202869

Cc1nn(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.48
L3MBTL3 Q96JM7 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HSP90AA1 P07900 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
NR3C1 P04150 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL2200230 0.92 L3MBTL3 (0.47) L3MBTL1L3MBTL3KMT2AKDM4EPOLB
SCHEMBL2197199 0.91 CYP3A4 (0.47) L3MBTL1L3MBTL3MEN1KMT2AALDH1A1
SCHEMBL2202742 0.89 KMT2A (0.50) L3MBTL1L3MBTL3MEN1KMT2AKDM4E
SCHEMBL2201149 0.83 KMT2A (0.44) L3MBTL1L3MBTL3KMT2ATDP1
SCHEMBL2200314 0.79 KMT2A (0.44) L3MBTL1L3MBTL3MEN1KMT2AMAPT
SCHEMBL2200316 0.79 KMT2A (0.44) L3MBTL1L3MBTL3MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL2201681 0.79 KMT2A (0.51) L3MBTL1L3MBTL3KMT2A
SCHEMBL2201040 0.78 CYP3A4 (0.50) L3MBTL1L3MBTL3KMT2ACYP2D6CYP2C19
SCHEMBL2201497 0.78 KMT2A (0.43) L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL2201503 0.78 KMT2A (0.43) L3MBTL1L3MBTL3MEN1KMT2A

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 L3MBTL1 4149/4885L3MBTL3 4146/4885MEN1 4450/4885

“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.