SCHEMBL4825684

SCHEMBL4825684

COc1ccc(C2=Nc3occc3C(N)N2c2ccc(CO)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4833648 0.91 CA1 (0.34) RAB9ACA1CA2CA9HSD11B1
SCHEMBL4835855 0.90 MAOB (0.36) RAB9ACA1CA2MAOBSMN1; SMN2
SCHEMBL4833690 0.87 ALDH1A1 (0.40) RAB9ACA1CA2SMN1; SMN2KDM4E
SCHEMBL4833965 0.87 CASP3 (0.38) MAOBSMN1; SMN2KDM4EHTTMEN1
SCHEMBL4834645 0.86 FFAR1 (0.42) KDM4EMEN1KMT2ALMNA
SCHEMBL4836559 0.84 CA1 (0.42) RAB9ACA1CA2SMN1; SMN2KDM4E
SCHEMBL4836550 0.84 MAPT (0.41) CA1CA2SMN1; SMN2KDM4EHTT
SCHEMBL4834446 0.84 CYP1A1 (0.35) RAB9ACA1CA2SMN1; SMN2HTT
SCHEMBL4829336 0.84 LTA4H (0.39) RAB9AHSD11B1OXTR
SCHEMBL4831217 0.84 NPBWR1 (0.36) CA1CA2KDM4EHTTLMNA

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 FYN 142/4885RAB9A 3248/4885P2RX7 2180/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR FYN 153/4885RAB9A 4166/4885P2RX7 606/4885

“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.

Send feedback