SCHEMBL965282

SCHEMBL965282

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DPP4 P27487 10/20 0.39
MAPK8 P45983 4/20 0.38
MAPK9 P45984 3/20 0.38
MAPK10 P53779 2/20 0.38
KMT2A Q03164 1/20 0.36
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 2/20 0.35
PIM1 P11309 2/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
PHGDH O43175 1/20 0.35
MCHR1 Q99705 1/20 0.35
ROCK1 Q13464 2/20 0.34

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
SCHEMBL964487 0.90 HTR2A (0.38) HTR2AHTR2CDPP4MAPK8MAPK9
SCHEMBL961483 0.89 HTR2A (0.37) HTR2AHTR2CDPP4MAPK8MAPK9
SCHEMBL4553497 0.88 MAPK8 (0.38) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL961662 0.88 KMT2A (0.41) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL964906 0.85 KMT2A (0.42) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL4553742 0.85 MAPK8 (0.37) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL964199 0.85 MAPK8 (0.38) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL962579 0.84 KMT2A (0.41) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL963803 0.84 MAPK8 (0.39) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL961862 0.83 PTGDR2 (0.48) MAPK8MAPK9MAPK10

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
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US 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 (2 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 HTR2A 4584/4885HTR2C 4618/4885DPP4 6/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HTR2A 2832/4885HTR2C 3164/4885DPP4 56/4885

“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.