SCHEMBL4825729

SCHEMBL4825729

COc1ccc(N2C(N)=c3ccoc3=NC2C(=O)N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ CCR1 P32246 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CTSE P14091 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RX3 P56373 4/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.34
▸ SLC6A9 P48067 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL4831357 0.82 ALDH1A1 (0.38) CYP2C19CYP3A4SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4835760 0.82 L3MBTL1 (0.38) CYP2C19CYP3A4MAPTSMN1; SMN2P2RX3
SCHEMBL4833422 0.78 TRPM8 (0.36) S1PR1S1PR3TRPM8CCR1CCR2
SCHEMBL4836739 0.77 POLB (0.40) MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4831333 0.75 CYP2C19 (0.39) CYP2C19CYP3A4BACE1MAPTSMN1; SMN2
SCHEMBL4834037 0.75 KMT2A (0.39) CYP2C19CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL4836325 0.75 CYP2D6 (0.38) CYP2C19CYP3A4SMN1; SMN2ALDH1A1ATM
SCHEMBL4825859 0.74 MAPT (0.44) MAPTALDH1A1L3MBTL1
SCHEMBL4833553 0.73 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1L3MBTL1TP53
SCHEMBL4833722 0.73 ALDH1A1 (0.37) MAPTGFERSMN1; SMN2ALDH1A1L3MBTL1

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 7 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

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 S1PR1 942/4885S1PR3 1053/4885TRPM8 4154/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR S1PR1 1402/4885S1PR3 1192/4885TRPM8 4493/4885

“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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