SCHEMBL4836706

SCHEMBL4836706

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.40
▸ TEK Q02763 2/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DDR2 Q16832 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 4/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4828870 0.90 KDR (0.51) KDRTEKFLT1MEN1KMT2A
SCHEMBL4836724 0.81 LTB4R2 (0.33) RECQLL3MBTL1ALDH1A1LMNA
SCHEMBL4826949 0.80 KDR (0.46) KDRTEKFLT1
SCHEMBL4834101 0.79 KDR (0.45) KDRTEKFLT1BRAF
SCHEMBL4828855 0.79 LTC4S (0.34) KDRL3MBTL1ALDH1A1
SCHEMBL4836710 0.77 KDR (0.41) KDRTEKFLT1RECQLL3MBTL1
SCHEMBL4825681 0.75 ALDH1A1 (0.43) L3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL4825748 0.75 ALDH1A1 (0.38) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL4833641 0.74 ALDH1A1 (0.49) L3MBTL1MEN1KMT2AALDH1A1TP53
SCHEMBL4833477 0.74 KDM1A (0.35) L3MBTL1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885TEK 3/4885FLT1 5/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDR 3/4885TEK 2/4885FLT1 5/4885

“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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