SCHEMBL5440405

SCHEMBL5440405

CCCCNCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 4/20 0.53
POLB P06746 1/20 0.53
DHODH Q02127 4/20 0.52
TACR3 P29371 6/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.50
TACR2 P21452 1/20 0.48

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
SCHEMBL6629501 0.86 TACR3 (0.43) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL14492079 0.80 PDE10A (0.68) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL6629503 0.80 LMNA (0.52) LMNATACR3TP53TACR2
SCHEMBL4776786 0.79 DHODH (0.53) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL3580968 0.79 PDE10A (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL3587309 0.78 PDE10A (0.57) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL5123788 0.77 DHODH (0.54) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4906729 0.76 DHODH (0.50) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL5437415 0.75 PDE10A (0.57) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL6957665 0.74 DHODH (0.65) PDE10ATSHRLMNAPOLBDHODH

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-1377567-B1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2005-12-21 EP claimed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXOSMITHKLINE SPA 2005-08-11 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-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 PDE10A 2668/4885TSHR 891/4885LMNA 2768/4885
US-20050176762-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNQ3, KCNK3, KCNK2 PDE10A 2668/4885TSHR 891/4885LMNA 2768/4885

“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.