SCHEMBL4834062

SCHEMBL4834062

COc1ccc(N2C(C(=O)Nc3cc(OC)cc(OC)c3)=Nc3occc3C2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TP53 P04637 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 2/20 0.38
▸ MAPT P10636 7/20 0.37
▸ POLB P06746 1/20 0.37
▸ PLAU P00749 2/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ LMNA P02545 1/20 0.36

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 0.93 RAB9A (0.40) SMN1; SMN2TP53RAB9AALDH1A1NPC1
SCHEMBL4831338 0.90 RAB9A (0.41) SMN1; SMN2TP53RAB9AALDH1A1NPC1
SCHEMBL4825871 0.89 MAPT (0.41) SMN1; SMN2TP53RAB9AALDH1A1NPC1
SCHEMBL4833812 0.87 POLB (0.44) SMN1; SMN2TP53RAB9AALDH1A1NPC1
SCHEMBL4833985 0.86 RAB9A (0.50) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL4835125 0.85 MAPK14 (0.43) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL4825838 0.85 RAB9A (0.38) SMN1; SMN2TP53RAB9AALDH1A1NPC1
SCHEMBL4833576 0.85 RAB9A (0.40) SMN1; SMN2RAB9AALDH1A1NPC1MEN1
SCHEMBL4831362 0.83 ALDH1A1 (0.38) SMN1; SMN2RAB9AALDH1A1NPC1MEN1
SCHEMBL4835767 0.83 MAPT (0.36) SMN1; SMN2TP53RAB9AALDH1A1NPC1

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 7 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
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 SMN1; SMN2 4268/4885TP53 54/4885RAB9A 3248/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR SMN1; SMN2 3836/4885TP53 144/4885RAB9A 4166/4885

“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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