SCHEMBL4778181

SCHEMBL4778181

CCc1cc2nncc(Br)c2cc1OCCOC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.40
FLT1 P17948 2/20 0.40
FGFR1 P11362 1/20 0.40
PDE10A Q9Y233 2/20 0.38
KDM1A O60341 8/20 0.35
EGFR P00533 3/20 0.33
ERBB2 P04626 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
FBP1 P09467 1/20 0.33
PDPK1 O15530 1/20 0.32

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
SCHEMBL4779131 0.95 KDR (0.40) KDRFLT1FGFR1PDE10AKDM1A
SCHEMBL4164752 0.85 PDE10A (0.44) PDE10A
SCHEMBL4772499 0.84 KDR (0.54) KDRFLT1FGFR1PDE10AKDM1A
SCHEMBL4167893 0.79 PDE10A (0.44) PDE10A
SCHEMBL13955847 0.73 TAAR1 (0.44)
SCHEMBL3461866 0.72 KDR (0.46) KDRFLT1FGFR1PDE10AKDM1A
SCHEMBL2209746 0.72 PDE10A (0.50) PDE10A
SCHEMBL31467684 0.72 PDE10A (0.50) PDE10A
SCHEMBL8235115 0.68 PDE10A (0.44) PDE10A
SCHEMBL4165792 0.68 PDE10A (0.44) KDRFLT1PDE10A

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 KDR 4714/4885FLT1 4564/4885FGFR1 2917/4885

“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.