SCHEMBL4776555

SCHEMBL4776555

COCCOc1cc2c(N3CCC(N)CC3)cnnc2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.49
PDE10A Q9Y233 5/20 0.46
FLT1 P17948 2/20 0.45
KDR P35968 2/20 0.45
FGFR1 P11362 1/20 0.45
EHMT2 Q96KQ7 2/20 0.42
EHMT1 Q9H9B1 2/20 0.42
PDGFRB P09619 1/20 0.42
NSD2 O96028 1/20 0.41
KDM1A O60341 2/20 0.41
KMT5A Q9NQR1 1/20 0.40
ENPP1 P22413 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL4772060 0.90 PDE10A (0.52) PDE10APDGFRBKMT5AENPP1ADRA1D
SCHEMBL4778206 0.81 PDE10A (0.63) PDPK1PDE10AFLT1KDRFGFR1
SCHEMBL8229176 0.81 PDE10A (0.63) PDPK1PDE10AFLT1KDRFGFR1
SCHEMBL4770185 0.80 PDGFRB (0.43) PDPK1PDE10AFLT1KDRFGFR1
SCHEMBL4776561 0.80 KDR (0.53) PDPK1PDE10AFLT1KDRFGFR1
SCHEMBL4794309 0.75 PDE10A (0.53) PDE10AFLT1KDRFGFR1PDGFRB
SCHEMBL5245601 0.75 PDE10A (0.53) PDE10AEHMT2EHMT1PDGFRB
SCHEMBL8233340 0.75 PDE10A (0.54) PDE10AEHMT2PDGFRBKMT5AADRA1D
SCHEMBL4778173 0.75 KIT (0.40) PDPK1PDE10AFLT1KDRFGFR1
SCHEMBL4774841 0.75 PDE10A (0.49) PDPK1PDE10AFLT1KDRFGFR1

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-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO 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-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A PDPK1 180/4885PDE10A 3/4885FLT1 4564/4885

“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.