SCHEMBL4833358

SCHEMBL4833358

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL4835654 0.93 PARP1 (0.39) KMT2AALDH1A1CA1CA2
SCHEMBL4836536 0.92 L3MBTL1 (0.39) ALDH1A1TP53MRGPRX4CA1CA2
SCHEMBL4836558 0.89 ALDH1A1 (0.43) PDE5AALDH1A1RXFP1CA1CA2
SCHEMBL4833484 0.87 HSD11B1 (0.43) MEN1CYP2C9KMT2ACTDSP1ALDH1A1
SCHEMBL4835262 0.87 PDE5A (0.42) PDE5AMEN1KMT2AALDH1A1RAB9A
SCHEMBL4825906 0.86 ALDH1A1 (0.39) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4831029 0.86 PDE5A (0.41) PDE5AMEN1KMT2AALDH1A1TP53
SCHEMBL4830808 0.85 KMT2A (0.42) MEN1KMT2AALDH1A1TP53PKM
SCHEMBL4833764 0.84 ABCB1 (0.39) MEN1KMT2AALDH1A1PKMRAB9A
SCHEMBL4835178 0.84 ACSS2 (0.37) MEN1KMT2AALDH1A1TP53PKM

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 PDE5A 2866/4885MEN1 303/4885CYP2C9 2843/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PDE5A 2228/4885MEN1 1454/4885CYP2C9 2123/4885

“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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