SCHEMBL4833707

SCHEMBL4833707

NC1c2ccoc2N=C(c2cccc(S(N)(=O)=O)c2)N1c1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.39
▸ KDR P35968 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ EDNRB P24530 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ PTGS2 P35354 7/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ AR P10275 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGES2 Q9H7Z7 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
SCHEMBL4829127 0.84 PDPK1 (0.39) LRRK2PTGS2PDPK1CA1CA2
SCHEMBL4831042 0.82 MAOB (0.36) LRRK2PTGS2CA1CA2CA7
SCHEMBL4837039 0.80 CA1 (0.53) CA1CA2CA9
SCHEMBL4833593 0.80 CA12 (0.54) KDREPHB4TEKPTGS2CA1
SCHEMBL4833598 0.80 KDR (0.34) KDREPHB4TEKPTGS2CA1
SCHEMBL4833912 0.78 PTGS2 (0.36) LRRK2PTGS2CA1CA2CA7
SCHEMBL4833306 0.78 CA9 (0.45) LRRK2PTGS2CA1CA2CA7
SCHEMBL4836662 0.78 CA1 (0.41) KDRPTGS2CA1CA2CA7
SCHEMBL4833719 0.73 LRRK2 (0.33) LRRK2KDREPHB4TEKCYP2C9
SCHEMBL4829253 0.71 KDM1A (0.33) CYP2C9PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US claimed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP claimed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — WO claimed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — 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 (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-20050004142-A1 Chemical compounds TIE1, KDR, TEK LRRK2 2113/4885KDR 2/4885EPHB4 536/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR LRRK2 2257/4885KDR 3/4885EPHB4 240/4885

“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.

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