SCHEMBL4836749

SCHEMBL4836749

COc1ccc(NC(=O)C2=Nc3occc3C(N)N2c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.40
▸ NPC1 O15118 9/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL4825871 0.95 MAPT (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4831338 0.95 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4834062 0.93 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4833985 0.89 RAB9A (0.50) RAB9ASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4833812 0.88 POLB (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4825838 0.88 RAB9A (0.38) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4833576 0.87 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4826346 0.87 MAPT (0.37) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4835767 0.86 MAPT (0.36) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL4831362 0.86 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 RAB9A 3248/4885NPC1 4117/4885SMN1; SMN2 4268/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR RAB9A 4166/4885NPC1 4782/4885SMN1; SMN2 3836/4885

“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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