SCHEMBL4836717

SCHEMBL4836717

COc1ccc(C2=Nc3occc3C(N)N2c2ccc(CN(C(N)=O)c3cc(C(F)(F)F)ccc3F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ RECQL P46063 1/20 0.30
▸ ABCB11 O95342 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL4831098 0.83 LTC4S (0.34) LTB4R2LMNAMAPTTP53RECQL
SCHEMBL4828862 0.79 KDR (0.51) MAPT
SCHEMBL4836724 0.77 LTB4R2 (0.33) LTB4R2LMNAMAPTHPGDL3MBTL1
SCHEMBL4825739 0.76 LHCGR (0.37) —
SCHEMBL4835207 0.76 KDM1A (0.34) PTGDR2
SCHEMBL4825684 0.75 FYN (0.33) LMNA
SCHEMBL4825763 0.75 ALOX15 (0.36) LTB4R2L3MBTL1
SCHEMBL4833648 0.75 CA1 (0.34) —
SCHEMBL4831093 0.74 KDR (0.46) —
SCHEMBL4831217 0.74 NPBWR1 (0.36) LMNAMAPTPPARGTP53RECQL

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 LTB4R2 422/4885LMNA 4230/4885MAPT 2499/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR LTB4R2 562/4885LMNA 4131/4885MAPT 2424/4885

“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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