SCHEMBL4825681

SCHEMBL4825681

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(CO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ RXFP1 Q9HBX9 3/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SOAT1 P35610 2/20 0.31
▸ LDHA P00338 1/20 0.31

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
SCHEMBL4833641 0.91 ALDH1A1 (0.49) ALDH1A1GAATDP1KDM4EMAPT
SCHEMBL4835851 0.91 ALDH1A1 (0.43) ALDH1A1GAATDP1SMN1; SMN2HSD11B1
SCHEMBL4833680 0.88 ALDH1A1 (0.46) ALDH1A1GAATDP1HPGDKDM4E
SCHEMBL4833955 0.87 ALDH1A1 (0.41) ALDH1A1GAATDP1HPGDMAPT
SCHEMBL4834636 0.86 FFAR1 (0.42) ALDH1A1GAAHPGDKDM4EMAPT
SCHEMBL4836558 0.85 ALDH1A1 (0.43) ALDH1A1RXFP1
SCHEMBL4829270 0.84 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HSD11B1
SCHEMBL4826532 0.84 ALDH1A1 (0.43) ALDH1A1TDP1HPGDKDM4EMAPT
SCHEMBL4836547 0.84 ALDH1A1 (0.43) ALDH1A1TDP1HPGDKDM4EMAPT
SCHEMBL4831211 0.84 ALDH1A1 (0.43) ALDH1A1TDP1HPGDKDM4EMAPT

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 3329/4885TDP1 1104/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885GAA 4356/4885TDP1 691/4885

“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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