SCHEMBL4826604

SCHEMBL4826604

NC1=c2ccoc2=NC(Br)N1c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ PDGFRB P09619 5/20 0.46
▸ FLT1 P17948 4/20 0.46
▸ TEK Q02763 4/20 0.46
▸ CSF1R P07333 3/20 0.46
▸ FLT4 P35916 3/20 0.46
▸ RIPK1 Q13546 2/20 0.46
▸ SRC P12931 2/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ AKT3 Q9Y243 1/20 0.46
▸ KIT P10721 5/20 0.45
▸ FLT3 P36888 4/20 0.45

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
SCHEMBL4830896 0.89 KDR (0.47) KDRCA12CA1CA2CA9
SCHEMBL4833124 0.89 KDR (0.47) KDRCA12CA1CA2CA9
SCHEMBL4831326 0.86 KDR (0.47) KDRCA12CA1CA2CA9
SCHEMBL4826949 0.86 KDR (0.46) KDRCA12CA1CA2CA9
SCHEMBL4831144 0.84 KDR (0.43) KDRCA12CA1CA2CA9
SCHEMBL4834101 0.84 KDR (0.45) KDRCA12CA1CA2CA9
SCHEMBL6403510 0.84 KDR (0.44) KDRCA12CA1CA2CA9
SCHEMBL4828870 0.84 KDR (0.51) KDRCA12CA1CA2CA9
SCHEMBL4828892 0.82 RIPK1 (0.43) KDRCA12CA1CA2CA9
SCHEMBL4831336 0.82 KDR (0.50) KDRCA12CA1CA2CA9

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

“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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