SCHEMBL4829336

SCHEMBL4829336

COc1ccc(C2=Nc3occc3C(N)N2c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.39
▸ ABCB1 P08183 2/20 0.38
▸ TNK2 Q07912 1/20 0.37
▸ ABAT P80404 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ GFER P55789 1/20 0.34
▸ OXTR P30559 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ BACE1 P56817 1/20 0.33

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
SCHEMBL4833648 0.92 CA1 (0.34) ABATGFERHSD11B1RAB9A
SCHEMBL4833690 0.88 ALDH1A1 (0.40) NPC1RAB9A
SCHEMBL4834286 0.87 PFKFB3 (0.35) NPBWR1HSD11B1NPC1RAB9A
SCHEMBL4836367 0.86 EGFR (0.37) ABATNPBWR1HSD11B1NPC1RAB9A
SCHEMBL4826472 0.86 EGFR (0.37) NPBWR1NPC1RAB9A
SCHEMBL4833489 0.86 RAB9A (0.40) ABATHSD11B1NPC1RAB9A
SCHEMBL4826881 0.85 MAPT (0.39) OXTRNPC1RAB9A
SCHEMBL4836559 0.85 CA1 (0.42) GFERNPC1RAB9AGLA
SCHEMBL4836550 0.85 MAPT (0.41) GLA
SCHEMBL4834446 0.85 CYP1A1 (0.35) ABCB1ABATNPC1RAB9A

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 LTA4H 2111/4885ABCB1 1215/4885TNK2 514/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR LTA4H 2590/4885ABCB1 1433/4885TNK2 1261/4885

“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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