SCHEMBL4827023

SCHEMBL4827023

COc1ccc(NC(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TP53 P04637 4/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ PTPN7 P35236 1/20 0.39
▸ TSHR P16473 2/20 0.39

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
SCHEMBL4828990 0.90 TP53 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4836017 0.90 MAPT (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4833537 0.89 MAPT (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4826356 0.88 CYP1A2 (0.34) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4831474 0.88 CA1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4836568 0.85 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4825827 0.85 MAPT (0.39) RAB9ASMN1; SMN2MEN1KMT2ACA12
SCHEMBL4833339 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4831477 0.83 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL4832995 0.82 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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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