SCHEMBL4554326

SCHEMBL4554326

[CH2]c1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.36
MAPK9 P45984 4/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK10 P53779 3/20 0.36
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
PTPN1 P18031 1/20 0.33
KMT2A Q03164 2/20 0.33
PHGDH O43175 2/20 0.33
MEN1 O00255 1/20 0.33
PIM1 P11309 2/20 0.33
ROCK2 O75116 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
SCHEMBL4554327 0.86 MAPK8 (0.38) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL4553497 0.83 MAPK8 (0.38) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL27772671 0.81 MAPK8 (0.36) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL4553742 0.81 MAPK8 (0.37) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL963702 0.81 SMN1; SMN2 (0.45) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL961662 0.81 KMT2A (0.41) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL965282 0.81 HTR2A (0.39) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL964906 0.79 KMT2A (0.42) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL964487 0.79 HTR2A (0.38) MAPK8MAPK9HTR2AHTR2CMAPK10
SCHEMBL961483 0.78 HTR2A (0.37) MAPK8MAPK9HTR2AHTR2CMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2724/4885HTR2A 4584/4885

“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.