SCHEMBL4668037

SCHEMBL4668037

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.53
DHODH Q02127 2/20 0.53
PLA2G2A P14555 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 1/20 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
SCHEMBL2372595 0.88 SMN1; SMN2 (0.54) TACR3DHODHSMN1; SMN2MEN1KMT2A
SCHEMBL2373281 0.87 KDM4E (0.55) TACR3DHODHPLA2G2ASMN1; SMN2MEN1
SCHEMBL2372559 0.86 TRPV4 (0.50) TACR3DHODHSMN1; SMN2
SCHEMBL5482733 0.86 TACR3 (0.53) TACR3DHODHPLA2G2ASMN1; SMN2
SCHEMBL4879045 0.85 DHODH (0.71) TACR3DHODHSMN1; SMN2MEN1KMT2A
SCHEMBL15491395 0.84 TACR3 (0.68) TACR3DHODH
SCHEMBL5481030 0.82 TACR3 (0.49) TACR3DHODHPLA2G2A
SCHEMBL4895783 0.80 BDKRB1 (0.50) TACR3DHODHPLA2G2A
SCHEMBL27729454 0.79 LMNA (0.53) TACR3DHODHSMN1; SMN2MEN1KMT2A
SCHEMBL4875432 0.79 KDM4E (0.49) TACR3SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 US disclosed
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists ASTRAZENECA AB (SE) 2008-08-21 US disclosed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US disclosed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US disclosed
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine SMITHKLINE BEECHAM CORPORATION (US) 2008-05-01 US disclosed
EP-1891012-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS AstraZeneca AB (SE) 2008-02-27 EP disclosed
EP-1812398-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SmithKline Beecham Corporation (US) 2007-08-01 EP 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
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
WO-2006130080-A2 QUINOLINE DERIVATIVES AS NK3 ANATGONISTS ASTRAZENECA AB (SE) 2006-12-07 WO disclosed
WO-2006050991-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
WO-2006050992-A1 COMPOUNDS HAVING ACTIVITY AT NK3 RECEPTOR AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
EP-1651632-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-03 EP disclosed
WO-2005014575-A1 QUINOLINE 4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS NEUROKININ 3 (NK-3) RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-17 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 (4 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
US-20080261945-A1 Compounds Having Activity at Nk3 Receptor and Uses Thereof in Medicine CNR1, ACKR3, HCAR3 TACR3 41/4885DHODH 3421/4885PLA2G2A 3899/4885
US-20080200500-A1 Quinoline Derivatives as Nk3 Antagonists KCNQ3, KCNA3, KCNK3 TACR3 17/4885DHODH 2651/4885PLA2G2A 3344/4885
US-20080103173-A1 Compounds Having Activity At Nk3 Receptor And Uses Thereof In Medicine TACR1, TACR2, KCNA3 TACR3 10/4885DHODH 3143/4885PLA2G2A 3357/4885

“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.