SCHEMBL4831409

SCHEMBL4831409

COc1ccc(N2C(c3ccccc3C(N)=O)=Nc3occc3C2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.40
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ PARP1 P09874 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ POLB P06746 2/20 0.34

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
SCHEMBL4833206 0.92 RAB9A (0.40) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4833449 0.84 AVPR2 (0.41) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4834367 0.84 RAB9A (0.39) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4826855 0.83 MAPT (0.40) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4834212 0.83 RAB9A (0.38) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4831117 0.83 RAB9A (0.38) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4831362 0.82 ALDH1A1 (0.38) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4825785 0.82 HSD11B1 (0.42) RAB9AMEN1KMT2ANPC1HSD11B1
SCHEMBL4826609 0.81 KMT2A (0.44) RAB9AMEN1KMT2ANPC1PKM
SCHEMBL4825739 0.81 LHCGR (0.37) PARP1ALDH1A1KDM4EGAA

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 3248/4885MEN1 303/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR RAB9A 4166/4885MEN1 1454/4885KMT2A 334/4885

“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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