SCHEMBL4830795

SCHEMBL4830795

O=C(Nc1ccc(N2CN=c3occc3=C2Nc2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.46
▸ TEK Q02763 2/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ RIPK1 Q13546 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ KIT P10721 3/20 0.43
▸ FLT3 P36888 3/20 0.43
▸ PDGFRB P09619 4/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ FLT1 P17948 2/20 0.43
▸ FLT4 P35916 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43

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
SCHEMBL4826870 0.89 KDR (0.46) KDRTEKEPHB4RIPK1CA12
SCHEMBL4831336 0.88 KDR (0.50) KDRTEKEPHB4RIPK1CA12
SCHEMBL4825645 0.86 KDR (0.47) KDRTEKEPHB4RIPK1CA12
SCHEMBL4834239 0.81 KDR (0.41) KDRTEKEPHB4RIPK1CA12
SCHEMBL4830823 0.79 RIPK1 (0.49) KDRTEKRIPK1CA12CA1
SCHEMBL4833470 0.79 KMT2A (0.50) KDRTEKEPHB4RIPK1KIT
SCHEMBL4830896 0.75 KDR (0.47) KDRTEKEPHB4RIPK1CA12
SCHEMBL4826604 0.74 KDR (0.48) KDRTEKEPHB4RIPK1CA12
SCHEMBL4833531 0.74 RIPK1 (0.47) KDRTEKRIPK1CA12CA1
SCHEMBL5271094 0.74 KDR (0.69) KDRTEKEPHB4RIPK1CA12

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 KDR 2/4885TEK 3/4885EPHB4 536/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDR 3/4885TEK 2/4885EPHB4 240/4885

“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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