SCHEMBL4829092

SCHEMBL4829092

Nc1cc2c(o1)N=CN(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ AURKA O14965 3/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ KDR P35968 13/20 0.47
▸ KIT P10721 5/20 0.46
▸ FLT3 P36888 5/20 0.46
▸ FLT1 P17948 5/20 0.46
▸ CSF1R P07333 4/20 0.46
▸ GSK3B P49841 3/20 0.46
▸ SRC P12931 3/20 0.46
▸ FLT4 P35916 3/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ LCK P06239 3/20 0.46
▸ FYN P06241 3/20 0.46
▸ LYN P07948 3/20 0.46
▸ BLK P51451 3/20 0.46
▸ TEK Q02763 3/20 0.46

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
SCHEMBL4833741 0.90 CA12 (0.48) CA12CA1CA2CA9AURKA
SCHEMBL4828935 0.89 CA12 (0.46) CA12CA1CA2CA9AURKA
SCHEMBL4829445 0.87 CA12 (0.49) CA12CA1CA2CA9AURKA
SCHEMBL4825738 0.82 CA12 (0.41) CA12CA1CA2CA9AURKA
SCHEMBL4834340 0.79 KDR (0.44) KDRFLT1TEKPDGFRB
SCHEMBL4829086 0.77 CA12 (0.49) CA12CA1CA2CA9AURKA
SCHEMBL4831342 0.72 CA12 (0.52) CA12CA1CA2CA9AURKA
SCHEMBL4836655 0.72 CA12 (0.47) CA12CA1CA2CA9AURKA
SCHEMBL4833756 0.72 CA12 (0.47) CA12CA1CA2CA9AURKA
SCHEMBL5899282 0.71 BRAF (0.63) CA12CA1CA2CA9AURKA

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 CA12 4081/4885CA1 4775/4885CA2 2721/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR CA12 4813/4885CA1 4873/4885CA2 3685/4885

“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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