SCHEMBL4830808

SCHEMBL4830808

COc1ccc(N2C(N)=c3ccoc3=NC2c2cccc(C(=O)Nc3ccncc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ LOX P28300 2/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ QSOX1 O00391 1/20 0.38

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
SCHEMBL4828806 0.91 ALDH1A1 (0.50) KMT2AMEN1RAB9APOLBLMNA
SCHEMBL4836536 0.86 L3MBTL1 (0.39) POLBLMNAHTTKDM4ETP53
SCHEMBL4831236 0.86 KMT2A (0.46) KMT2AEPHX2NPC1MEN1RAB9A
SCHEMBL4835654 0.85 PARP1 (0.39) KMT2APOLBLMNAHTTALDH1A1
SCHEMBL4833358 0.85 PDE5A (0.38) KMT2AMEN1RAB9ATP53SMN1; SMN2
SCHEMBL4835178 0.83 ACSS2 (0.37) KMT2ANPC1MEN1RAB9APOLB
SCHEMBL4833764 0.83 ABCB1 (0.39) KMT2ANPC1MEN1RAB9APOLB
SCHEMBL4833484 0.81 HSD11B1 (0.43) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL4835262 0.80 PDE5A (0.42) KMT2AMEN1RAB9ALMNAKDM4E
SCHEMBL4825906 0.80 ALDH1A1 (0.39) KMT2ANPC1MEN1RAB9APOLB

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 KMT2A 324/4885EPHX2 1026/4885NPC1 4117/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KMT2A 334/4885EPHX2 736/4885NPC1 4782/4885

“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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