SCHEMBL962237

SCHEMBL962237

Cc1nn(C)c(-n2ccc3cc(C4CC4)cnc32)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
DHODH Q02127 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 3/20 0.30
JAK2 O60674 2/20 0.30

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
SCHEMBL962204 0.86 PKMYT1 (0.31) KDM4E
SCHEMBL962206 0.86 PKMYT1 (0.31) KDM4E
SCHEMBL962683 0.84 HTT (0.37) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL963124 0.82 ENPP3 (0.39) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL963547 0.82 SMN1; SMN2 (0.41) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL966311 0.82 SMN1; SMN2 (0.33) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL961987 0.79 POLB (0.34) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL962512 0.79 PKMYT1 (0.30)
SCHEMBL966734 0.77 IRAK4 (0.35) HTT
SCHEMBL962205 0.77 JAK2 (0.31) BRD4JAK2

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 HTT 3376/4885DHODH 664/4885CYP1A2 537/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HTT 3799/4885DHODH 2649/4885CYP1A2 665/4885

“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.