SCHEMBL4830970

SCHEMBL4830970

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA4 P22748 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ MDM2 Q00987 1/20 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
SCHEMBL4833641 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL4829117 0.89 ALDH1A1 (0.39) ALDH1A1CA1CA2L3MBTL1MDM2
SCHEMBL4834275 0.88 ALDH1A1 (0.40) ALDH1A1LMNAPDE5AMAPTKMT2A
SCHEMBL4833680 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL4826469 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CYP2D6CYP2C19LMNA
SCHEMBL4826026 0.86 ALDH1A1 (0.39) ALDH1A1CYP2D6CYP2C19LMNAHPGD
SCHEMBL4830855 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP2D6CYP2C19LMNA
SCHEMBL4833443 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDMAPTMDM4
SCHEMBL4829331 0.84 ALDH1A1 (0.43) ALDH1A1LMNANPSR1MAPTKMT2A
SCHEMBL4836547 0.84 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CYP2C19HPGDRAB9A

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 ALDH1A1 906/4885SMN1; SMN2 4268/4885CYP2D6 2559/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885SMN1; SMN2 3836/4885CYP2D6 1693/4885

“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