SCHEMBL4831175

SCHEMBL4831175

CCN(CC)c1ccc(N2C(N)=c3ccoc3=NC2c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ CNR1 P21554 5/20 0.33
▸ CNR2 P34972 5/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ GFER P55789 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RECQL P46063 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD11B1 P28845 2/20 0.31
▸ TSHR P16473 2/20 0.30

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 0.89 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAMAPTTDP1
SCHEMBL4826532 0.89 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP2C19MAPTTDP1
SCHEMBL4836547 0.89 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP2C19MAPTTDP1
SCHEMBL4833680 0.86 ALDH1A1 (0.46) ALDH1A1GAAMAPTTDP1MAPK1
SCHEMBL4835851 0.85 ALDH1A1 (0.43) ALDH1A1GAATDP1SMN1; SMN2HSD11B1
SCHEMBL4825681 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1CYP2C19GAAMAPT
SCHEMBL4833955 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP2C19GAAMAPT
SCHEMBL4829331 0.82 ALDH1A1 (0.43) ALDH1A1MAPTGFERKDM4EMEN1
SCHEMBL4831211 0.82 ALDH1A1 (0.43) ALDH1A1MAPTTDP1MAPK1GFER
SCHEMBL4829270 0.82 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 906/4885CNR1 3921/4885CNR2 2427/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885CNR1 3315/4885CNR2 1375/4885

“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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