SCHEMBL4833730

SCHEMBL4833730

CNC(=O)c1cc(C2N=c3occc3=C(N)N2c2ccc(OC)cc2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.40
▸ HDAC1 Q13547 8/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ ARAF P10398 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HDAC3 O15379 5/20 0.33
▸ HDAC4 P56524 5/20 0.33
▸ HDAC7 Q8WUI4 5/20 0.33
▸ HDAC2 Q92769 5/20 0.33
▸ HDAC10 Q969S8 5/20 0.33
▸ HDAC11 Q96DB2 5/20 0.33
▸ HDAC8 Q9BY41 5/20 0.33
▸ HDAC6 Q9UBN7 5/20 0.33
▸ HDAC9 Q9UKV0 5/20 0.33
▸ HDAC5 Q9UQL6 5/20 0.33

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
SCHEMBL4836404 0.87 PLK1 (0.44) BRAFHDAC1RAF1ARAFALDH1A1
SCHEMBL4834660 0.85 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EGAAGLA
Hydrochloric Acid SCHEMBL4830967 0.84 ALDH1A1 (0.37) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL4825748 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL4828841 0.83 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL4833641 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHSD17B10L3MBTL1
SCHEMBL4836558 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4836536 0.80 L3MBTL1 (0.39) ALDH1A1KDM4EL3MBTL1HSD11B1
SCHEMBL4833908 0.80 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EGAARAB9A
SCHEMBL4836450 0.80 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EGAARAB9A

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 BRAF 163/4885HDAC1 3161/4885RAF1 561/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR BRAF 586/4885HDAC1 4302/4885RAF1 1283/4885

“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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