SCHEMBL4835727

SCHEMBL4835727

NC1=c2ccoc2=NCN1c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 4/20 0.43
▸ SLC22A12 Q96S37 4/20 0.41
▸ GSPT1 P15170 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.39
▸ BCHE P06276 1/20 0.36
▸ PRF1 P14222 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ MET P08581 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ AXL P30530 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
SCHEMBL4830770 0.88 ALPL (0.48) ALPLIDH1
SCHEMBL4836674 0.83 NPY5R (0.47) DDB1CRBNGSK3B
SCHEMBL4825823 0.83 PGR (0.42) SLC22A12
SCHEMBL4835148 0.81 TSHR (0.44) —
SCHEMBL4833946 0.80 KEAP1 (0.46) —
SCHEMBL4833297 0.80 PKM (0.39) IDH1
SCHEMBL4833658 0.79 PGR (0.43) PKLR
SCHEMBL4834402 0.79 ALDH1A1 (0.49) —
SCHEMBL4831000 0.78 NPY5R (0.45) BRD4
SCHEMBL4826272 0.78 KMT2A (0.53) PKLR

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 7 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
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 ALPL 4488/4885SLC22A12 2711/4885GSPT1 1585/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALPL 4482/4885SLC22A12 2657/4885GSPT1 2002/4885

“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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