SCHEMBL4826346

SCHEMBL4826346

COc1ccc(N2C(C(=O)Nc3ccc(CCN(N)C=O)cc3)=Nc3occc3C2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.37
▸ MAPKAPK2 P49137 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 4/20 0.34
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4836749 0.87 RAB9A (0.40) MAPTMAPKAPK2MEN1KMT2AALDH1A1
SCHEMBL4825871 0.82 MAPT (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4831338 0.82 RAB9A (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4834062 0.81 SMN1; SMN2 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4833985 0.77 RAB9A (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4829297 0.77 GAA (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4836332 0.77 CYP2D6 (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4833812 0.76 POLB (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4825838 0.76 RAB9A (0.38) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL4833576 0.76 RAB9A (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 MAPT 2499/4885MAPKAPK2 610/4885MEN1 303/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR MAPT 2424/4885MAPKAPK2 1140/4885MEN1 1454/4885

“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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