SCHEMBL4825738

SCHEMBL4825738

CN(C)CCNc1cc2c(o1)N=CN(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDR P35968 12/20 0.40
▸ TEK Q02763 4/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ RET P07949 2/20 0.40
▸ AURKB Q96GD4 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ IKBKE Q14164 1/20 0.39

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
SCHEMBL4828935 0.88 CA12 (0.46) CA12CA1CA2CA9KDR
SCHEMBL4834340 0.83 KDR (0.44) KDRTEKRAF1PDGFRBBRAF
SCHEMBL4833741 0.83 CA12 (0.48) CA12CA1CA2CA9KDR
SCHEMBL4829092 0.82 CA12 (0.49) CA12CA1CA2CA9KDR
SCHEMBL4830974 0.82 CA12 (0.42) CA12CA1CA2CA9KDR
SCHEMBL4829445 0.82 CA12 (0.49) CA12CA1CA2CA9KDR
SCHEMBL4825756 0.81 CA12 (0.41) CA12CA1CA2CA9KDR
SCHEMBL4830961 0.78 CA12 (0.43) CA12CA1CA2CA9KDR
SCHEMBL4829278 0.72 CA12 (0.41) CA12CA1CA2CA9KDR
SCHEMBL4831044 0.72 CA12 (0.45) CA12CA1CA2CA9KDR

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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