SCHEMBL4829070

SCHEMBL4829070

COc1ccccc1C1N=c2occc2=C(N)N1c1ccc(OC2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ P2RX3 P56373 3/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PDE4D Q08499 4/20 0.33
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL4833458 0.88 HSD11B1 (0.44) HSD11B1ALDH1A1P2RX3KCNH2KDM4E
SCHEMBL4836153 0.84 P2RX3 (0.42) HSD11B1ALDH1A1P2RX3KCNH2KDM4E
SCHEMBL4834341 0.82 P2RX3 (0.41) HSD11B1ALDH1A1P2RX3KCNH2KDM4E
SCHEMBL4834360 0.78 RAB9A (0.38) HSD11B1ALDH1A1P2RX3KCNH2KDM4E
SCHEMBL4833542 0.78 ALDH1A1 (0.39) HSD11B1ALDH1A1P2RX3KDM4EMEN1
SCHEMBL4826850 0.77 SMN1; SMN2 (0.44) HSD11B1ALDH1A1P2RX3KCNH2KDM4E
SCHEMBL4834204 0.77 ALDH1A1 (0.40) HSD11B1ALDH1A1P2RX3KCNH2KDM4E
SCHEMBL4825775 0.76 HSD11B1 (0.46) HSD11B1ALDH1A1KCNH2GAAMAPT
SCHEMBL4833641 0.75 ALDH1A1 (0.49) HSD11B1ALDH1A1KDM4EMEN1TP53
SCHEMBL4833680 0.75 ALDH1A1 (0.46) HSD11B1ALDH1A1KDM4EMEN1TP53

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 HSD11B1 3465/4885ALDH1A1 906/4885P2RX3 1980/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR HSD11B1 4215/4885ALDH1A1 1144/4885P2RX3 444/4885

“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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