SCHEMBL4833743

SCHEMBL4833743

COc1ccc(N2C(N)=c3ccoc3=NC2c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ GRIN2B Q13224 1/20 0.31
▸ GALR2 O43603 1/20 0.31
▸ GALR1 P47211 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 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
SCHEMBL4836553 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL1CHRNA7P2RX3SCD5
SCHEMBL4833641 0.91 ALDH1A1 (0.49) ALDH1A1L3MBTL1HSD11B1KDM4EGAA
SCHEMBL4833680 0.88 ALDH1A1 (0.46) ALDH1A1HSD11B1KDM4EGAAMAPT
SCHEMBL4831211 0.86 ALDH1A1 (0.43) ALDH1A1P2RX3PDE5AHSD11B1KDM4E
SCHEMBL4835851 0.84 ALDH1A1 (0.43) ALDH1A1HSD11B1GAATP53POLB
SCHEMBL4826532 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1HSD11B1KDM4EMAPT
SCHEMBL4829270 0.84 ALDH1A1 (0.43) ALDH1A1HSD11B1MAPTPOLB
SCHEMBL4829331 0.84 ALDH1A1 (0.43) ALDH1A1HSD11B1KDM4EMAPTTP53
SCHEMBL4836547 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1HSD11B1KDM4EMAPT
SCHEMBL4829029 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTMAPK1

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 906/4885L3MBTL1 3368/4885CHRNA7 4880/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885L3MBTL1 3908/4885CHRNA7 4857/4885

“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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