SCHEMBL4834425

SCHEMBL4834425

NC1=c2ccoc2=NCN1c1cccc(NC(=O)NC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.47
▸ NPC1 O15118 9/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ EPHX2 P34913 4/20 0.47
▸ EPHX1 P07099 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ EGFR P00533 1/20 0.45
▸ ERBB2 P04626 1/20 0.45
▸ MET P08581 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MERTK Q12866 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ PTPN7 P35236 1/20 0.42

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
SCHEMBL4831180 0.85 CNR1 (0.39) RAB9ANPC1SMN1; SMN2EPHX2EPHX1
SCHEMBL4835375 0.83 KDM4E (0.36) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4829189 0.82 EPHX2 (0.38) RAB9ANPC1SMN1; SMN2EPHX2MEN1
SCHEMBL4825882 0.81 NPC1 (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4828818 0.76 MEN1 (0.52) RAB9ANPC1MEN1KMT2AKDR
SCHEMBL4833677 0.76 MEN1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4832987 0.75 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4833622 0.74 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4836200 0.73 CA12 (0.48) RAB9ANPC1SMN1; SMN2EPHX2MEN1
SCHEMBL4833913 0.72 NPC1 (0.48) 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 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 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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