SCHEMBL4553742

SCHEMBL4553742

[CH2]CCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.37
MAPK9 P45984 4/20 0.37
MAPK10 P53779 3/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KMT2A Q03164 2/20 0.34
PIM1 P11309 2/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
CLK2 P49760 1/20 0.34
MAP4K2 Q12851 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
MCHR1 Q99705 1/20 0.34
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL4553497 0.90 MAPK8 (0.38) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL964906 0.88 KMT2A (0.42) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL964487 0.88 HTR2A (0.38) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL962579 0.87 KMT2A (0.41) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL961483 0.87 HTR2A (0.37) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL965282 0.85 HTR2A (0.39) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL961662 0.85 KMT2A (0.41) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL964199 0.85 MAPK8 (0.38) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL963435 0.85 MAPK8 (0.38) MAPK8MAPK9MAPK10HTR2AHTR2C
SCHEMBL968306 0.84 OXER1 (0.45) MAPK8MAPK9MAPK10KMT2APTGDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 MAPK8 2053/4885MAPK9 2724/4885MAPK10 1851/4885

“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.