SCHEMBL4831371

SCHEMBL4831371

NC1c2ccsc2N=CN1c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ TP53 P04637 1/20 0.37
▸ IDH2 P48735 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ 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
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SPR P35270 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ SIRT2 Q8IXJ6 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
SCHEMBL4825889 0.93 THRB (0.41) THRBTP53IDH2F2F9
SCHEMBL4826357 0.87 CFTR (0.38) THRBLMNAHDAC1L3MBTL1
SCHEMBL4829300 0.87 HDAC1 (0.43) THRBLMNAKDM4EALDH1A1TDP1
SCHEMBL4825661 0.84 MAPT (0.48) TP53IDH2SMN1; SMN2LMNAPOLB
SCHEMBL4831059 0.84 NPSR1 (0.47) THRBSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL4836756 0.84 THRB (0.44) THRBTP53IDH2SMN1; SMN2LMNA
SCHEMBL4836297 0.83 HDAC1 (0.42) LMNAHDAC1L3MBTL1
SCHEMBL4835902 0.79 ELOVL1 (0.43) F2F9F10PRSS1PRSS2
SCHEMBL4836049 0.78 PSEN1 (0.46) SMN1; SMN2LMNA
SCHEMBL4833818 0.77 RET (0.41) TP53SMN1; SMN2LMNAKDM4EKDR

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 54/4885IDH2 158/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR THRB 1469/4885TP53 144/4885IDH2 427/4885

“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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