SCHEMBL4834660

SCHEMBL4834660

CNc1ccc(C2N=c3occc3=C(N)N2c2ccc(OC)cc2)cc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PKM P14618 1/20 0.32

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
Hydrochloric Acid SCHEMBL4830967 0.92 ALDH1A1 (0.37) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL4833730 0.85 BRAF (0.40) ALDH1A1GAAL3MBTL1KDM4EGLA
SCHEMBL4836536 0.83 L3MBTL1 (0.39) ALDH1A1L3MBTL1MAPTKDM4EMAPK1
SCHEMBL4828841 0.82 ALDH1A1 (0.36) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL4825748 0.82 ALDH1A1 (0.38) ALDH1A1GAAL3MBTL1KDM4EGLA
SCHEMBL4833641 0.82 ALDH1A1 (0.49) ALDH1A1GAAL3MBTL1MAPTKDM4E
SCHEMBL4836404 0.81 PLK1 (0.44) ALDH1A1GAAMAPTKDM4ECYP3A4
SCHEMBL4836558 0.80 ALDH1A1 (0.43) ALDH1A1NR3C2
SCHEMBL4833908 0.79 ALDH1A1 (0.40) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL4836450 0.79 ALDH1A1 (0.40) ALDH1A1GAAMAPTKDM4EKMT2A

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 ALDH1A1 906/4885GAA 3329/4885L3MBTL1 3368/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885GAA 4356/4885L3MBTL1 3908/4885

“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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