SCHEMBL4834339

SCHEMBL4834339

COc1ccc(C2N=c3occc3=C(N)N2c2ccc(N(C(N)=O)c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ MDM2 Q00987 2/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ FPR2 P25090 2/20 0.32
▸ FPR1 P21462 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
SCHEMBL4833165 0.92 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL4834356 0.85 FPR2 (0.46) ALDH1A1MAPTHTTFPR2FPR1
SCHEMBL4833641 0.84 ALDH1A1 (0.49) ALDH1A1MDM2MDM4MAPTTP53
SCHEMBL4826532 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTTP53
SCHEMBL4836547 0.83 ALDH1A1 (0.43) ALDH1A1MAPTHTTTP53
SCHEMBL4826095 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4836558 0.82 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4825771 0.82 ALOX15 (0.39) ALDH1A1NPSR1CYP2D6POLB
SCHEMBL4833422 0.82 TRPM8 (0.36) ALDH1A1NPSR1MAPTHTTCYP2D6
SCHEMBL4833908 0.81 ALDH1A1 (0.40) ALDH1A1MAPTFPR2FPR1

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 906/4885MDM2 178/4885MDM4 146/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885MDM2 147/4885MDM4 118/4885

“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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