SCHEMBL4831366

SCHEMBL4831366

NC1=c2ccsc2=NCN1c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ TP53 P04637 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ IDH2 P48735 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ LIMK2 P53671 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL4825880 0.92 THRB (0.43) THRBTP53LMNAKDRHDAC3
SCHEMBL4826352 0.87 IDO1 (0.38) THRBLMNAHDAC3NCOR2HDAC1
SCHEMBL4829291 0.86 HDAC1 (0.45) THRBLMNAHDAC3KDM4ENCOR2
SCHEMBL4825658 0.84 KDR (0.50) TP53LMNAKDRPOLBALDH1A1
SCHEMBL4836750 0.83 THRB (0.48) THRBTP53LMNAKDRPTGS1
SCHEMBL4831049 0.83 LMNA (0.49) THRBLMNAALDH1A1HTTHDAC1
SCHEMBL4836291 0.82 HDAC1 (0.43) THRBTP53LMNAKDM4EPOLB
SCHEMBL4835896 0.78 ELOVL1 (0.42) HDAC3NCOR2
SCHEMBL4836046 0.78 PSEN1 (0.44) LMNAHTT
SCHEMBL4833807 0.77 RET (0.43) TP53EPHX2LMNAKDRPTGS1

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 54/4885EPHX2 1026/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR THRB 1469/4885TP53 144/4885EPHX2 736/4885

“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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