SCHEMBL4834312

SCHEMBL4834312

COc1ccc(N2C(N)=c3ccoc3=NC2c2cccc(C(=O)NCCN(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.41
▸ RAD52 P43351 5/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ PRKD1 Q15139 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ SIGMAR1 Q99720 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
SCHEMBL4833940 0.90 ALDH1A1 (0.41) FYNCYP2D6ALDH1A1SIGMAR1
SCHEMBL4836536 0.85 L3MBTL1 (0.39) TP53ALDH1A1MAPK1
SCHEMBL4833184 0.85 DRD4 (0.36) CYP2D6DRD4TP53DRD3ALDH1A1
SCHEMBL4835654 0.84 PARP1 (0.39) DRD4ALDH1A1
SCHEMBL4833358 0.84 PDE5A (0.38) TP53ALDH1A1
SCHEMBL4830808 0.83 KMT2A (0.42) TP53ALDH1A1
SCHEMBL4828806 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10
SCHEMBL4836325 0.80 CYP2D6 (0.38) RAD52CYP2D6ALDH1A1HPGD
SCHEMBL4833484 0.79 HSD11B1 (0.43) ALDH1A1HPGDMAPK1
SCHEMBL4835262 0.79 PDE5A (0.42) DRD3ALDH1A1HPGDMAPK1

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 FYN 142/4885RAD52 297/4885CYP2D6 2559/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR FYN 153/4885RAD52 660/4885CYP2D6 1693/4885

“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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