SCHEMBL4825889

SCHEMBL4825889

NC1c2ccsc2N=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
▸ TP53 P04637 1/20 0.37
▸ F2 P00734 1/20 0.34
▸ F9 P00740 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ TEK Q02763 3/20 0.33
▸ EPHB4 P54760 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ LHCGR P22888 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ IDH2 P48735 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ RHOC P08134 1/20 0.30
▸ RHOA P61586 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
SCHEMBL4831371 0.93 THRB (0.44) THRBTP53F2F9F10
SCHEMBL4829300 0.86 HDAC1 (0.43) THRBHDAC1CYP2C9KDM4E
SCHEMBL4836297 0.85 HDAC1 (0.42) HDAC1IDO1
SCHEMBL4836049 0.83 PSEN1 (0.46) RHOCRHOA
SCHEMBL4826357 0.83 CFTR (0.38) THRBHDAC1IDO1
SCHEMBL4833301 0.83 THRB (0.41) THRBTP53F2F9F10
SCHEMBL4831059 0.82 NPSR1 (0.47) THRBHDAC1CYP2C9KDM4E
SCHEMBL4835902 0.81 ELOVL1 (0.43) F2F9F10PRSS1PRSS2
SCHEMBL4825661 0.79 MAPT (0.48) TP53EPHB4KDRIDH2
SCHEMBL4836423 0.77 KCNJ5 (0.36) —

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-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — 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 1905/4885TP53 54/4885F2 836/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR THRB 1469/4885TP53 144/4885F2 461/4885

“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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