SCHEMBL967587

SCHEMBL967587

COc1ccc2c(ccn2-c2c(C=O)c(C)nn2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.40
HTR6 P50406 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTR2C P28335 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL967700 0.91 ROCK1 (0.44) ROCK1SMN1; SMN2ALDH1A1POLBHTR6
SCHEMBL4565958 0.90 ROCK1 (0.41) ROCK1PDGFRBPDGFRASMN1; SMN2L3MBTL1
SCHEMBL961756 0.85 ALDH1A1 (0.45) ROCK1PDGFRBPDGFRASMN1; SMN2L3MBTL1
SCHEMBL961757 0.85 ALDH1A1 (0.45) ROCK1PDGFRBPDGFRASMN1; SMN2L3MBTL1
SCHEMBL961972 0.85 ROCK1 (0.41) ROCK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL963702 0.83 SMN1; SMN2 (0.45) PDGFRBSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL962714 0.83 ALDH1A1 (0.38) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4554315 0.82 ROCK1 (0.41) ROCK1PDGFRBPDGFRASMN1; SMN2POLB
SCHEMBL4553105 0.82 ROCK1 (0.41) ROCK1PDGFRBPDGFRASMN1; SMN2POLB
SCHEMBL965371 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP1A2

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 ROCK1 2974/4885PDGFRB 3363/4885PDGFRA 3722/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ROCK1 3736/4885PDGFRB 204/4885PDGFRA 222/4885

“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.