SCHEMBL5482733

SCHEMBL5482733

COC(=O)c1c(Cn2nccn2)c(-c2cccc(F)c2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 17/20 0.53
DHODH Q02127 1/20 0.50
PLA2G2A P14555 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 3/20 0.44

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
SCHEMBL5475536 0.89 DHODH (0.50) TACR3DHODH
SCHEMBL4668037 0.86 TACR3 (0.53) TACR3DHODHPLA2G2ASMN1; SMN2
SCHEMBL5481030 0.85 TACR3 (0.49) TACR3DHODHPLA2G2AKCNH2
SCHEMBL4879045 0.82 DHODH (0.71) TACR3DHODHSMN1; SMN2
SCHEMBL4895783 0.82 BDKRB1 (0.50) TACR3DHODHPLA2G2AKCNH2
SCHEMBL15491395 0.81 TACR3 (0.68) TACR3DHODH
SCHEMBL14492107 0.79 TACR3 (0.73) TACR3
SCHEMBL5476377 0.77 DHODH (0.47) TACR3DHODH
SCHEMBL5486956 0.77 DHODH (0.58) TACR3DHODHKCNH2
SCHEMBL15491402 0.74 DHODH (0.58) TACR3DHODH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 US disclosed
US-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists SMITHKLINE BEECHAM CORPORATION 2007-06-21 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 (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-20070142431-A1 Quinoline 4-carboxamide derivatives and their use as neurokinin 3 (nk-3) receptor antagonists TACR3, GRIK3, TACR2 TACR3 1/4885DHODH 3942/4885PLA2G2A 3634/4885

“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.