SCHEMBL6419401

SCHEMBL6419401

COc1ccc(Br)c(CNCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN7 P35236 1/20 0.49
DUSP3 P51452 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HTR2A P28223 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
APLNR P35414 1/20 0.43

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
SCHEMBL6419375 0.79 APLNR (0.45) CA1CA2HTR2AAPLNR
SCHEMBL1855842 0.77 HTR2A (0.50) MEN1KMT2ACA1CA2HTR2A
SCHEMBL1921828 0.76 TACR1 (0.49) MEN1KMT2AHDAC8
SCHEMBL27312581 0.76 MEN1 (0.55) MEN1KMT2A
SCHEMBL25474343 0.75 APLNR (0.59) MEN1KMT2APTPN7DUSP3HTR2A
SCHEMBL25470888 0.75 KDM4E (0.43) MEN1KMT2APTPN7DUSP3CA1
SCHEMBL1599514 0.75 TACR1 (0.54) HTR2A
SCHEMBL1436108 0.72 PTPN1 (0.54) MEN1KMT2A
SCHEMBL4575343 0.72 MEN1 (0.58) MEN1KMT2APTPN7DUSP3
SCHEMBL27312595 0.72 APLNR (0.68) MEN1KMT2APTPN7DUSP3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
EP-1017387-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2004-08-18 EP disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030216377-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-11-20 US disclosed
CN-1114403-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2003-07-16 CN disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
US-20030087894-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
US-20020128257-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
US-20020040136-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-04-04 US disclosed
US-20010014737-A1 Vitronectin receptor antagonist HEERDING DIRK (US) 2001-08-16 US disclosed
CN-1273529-A Vitronection receptor antagonist SMITHKLINE BEECHAM CORP (US) 2000-11-15 CN disclosed
EP-1017387-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
CN-1238689-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-12-15 CN disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1999015170-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (7 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-20020040136-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL MEN1 372/4885KMT2A 4439/4885PTPN7 1927/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL MEN1 372/4885KMT2A 4439/4885PTPN7 1927/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL MEN1 372/4885KMT2A 4439/4885PTPN7 1927/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 MEN1 1246/4885KMT2A 4278/4885PTPN7 3376/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL MEN1 372/4885KMT2A 4439/4885PTPN7 1927/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL MEN1 372/4885KMT2A 4439/4885PTPN7 1927/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 MEN1 1246/4885KMT2A 4278/4885PTPN7 3376/4885

“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.