SCHEMBL4833301

SCHEMBL4833301

NC1c2ccoc2N=CN1c1ccc(NC(=O)C2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.41
▸ TEK Q02763 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ EPHB4 P54760 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ RHOC P08134 2/20 0.31
▸ RHOA P61586 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ F9 P00740 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31

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
SCHEMBL4836756 0.93 THRB (0.44) THRBTP53KDRHDAC1LMNA
SCHEMBL4831174 0.86 GAA (0.43) THRBHDAC1LMNACYP2D6CYP2C9
SCHEMBL4836201 0.85 HDAC1 (0.44) IDO1HDAC1LMNACA12CA1
SCHEMBL4833602 0.83 PSEN1 (0.48) LMNARHOCRHOAPSEN1PSEN2
SCHEMBL4830987 0.83 IDO1 (0.37) THRBIDO1HDAC1LMNA
SCHEMBL4825889 0.83 THRB (0.41) THRBTEKTP53IDO1EPHB4
SCHEMBL4833590 0.81 ELOVL1 (0.43) IDO1BACE1
SCHEMBL4833543 0.80 RIPK1 (0.44) TEKKDRCA12CA1CA2
SCHEMBL4833483 0.79 KMT2A (0.48) TEKEPHB4KDRLMNACA12
SCHEMBL4834246 0.77 CA12 (0.41) TEKKDRCA12CA1CA2

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 THRB 1905/4885TEK 3/4885TP53 54/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR THRB 1469/4885TEK 2/4885TP53 144/4885

“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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