SCHEMBL4776561

SCHEMBL4776561

COCCOc1cc2c(N3CCC(Cc4ccccc4)C3)cnnc2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
PDE10A Q9Y233 3/20 0.49
KDM1A O60341 1/20 0.46
KIT P10721 6/20 0.45
PDGFRB P09619 2/20 0.45
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
PDGFRA P16234 1/20 0.45
THRB P10828 1/20 0.43
PDPK1 O15530 1/20 0.42
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL4969563 0.93 PDE10A (0.56) KDRPDE10AKITPDGFRBHTR1A
SCHEMBL5654002 0.87 PDE10A (0.54) PDE10AKITPDGFRBHTR1AHTR7
SCHEMBL14367684 0.87 PDE10A (0.54) PDE10AKITPDGFRBHTR1AHTR7
SCHEMBL8231476 0.87 PDE10A (0.54) PDE10AKITPDGFRBHTR1AHTR7
SCHEMBL4778206 0.85 PDE10A (0.63) KDRPDE10AKDM1APDGFRBPDPK1
SCHEMBL8229176 0.85 PDE10A (0.63) KDRPDE10AKDM1APDGFRBPDPK1
SCHEMBL4776555 0.80 PDPK1 (0.49) KDRPDE10AKDM1APDGFRBPDPK1
SCHEMBL4794309 0.80 PDE10A (0.53) KDRPDE10AKDM1AKITPDGFRB
SCHEMBL4969825 0.76 PDE10A (0.74) PDE10APDGFRBHTR1AHTR7PDE3A
SCHEMBL4770185 0.76 PDGFRB (0.43) KDRPDE10APDGFRBPDGFRAPDPK1

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 6 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
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US 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
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 KDR 4714/4885PDE10A 3/4885KDM1A 1642/4885

“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.