SCHEMBL4828841

SCHEMBL4828841

COc1ccc(N2C(N)=c3ccoc3=NC2c2ccc(Cl)c(C(N)=O)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GLA P06280 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ LMNA P02545 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MDM4 O15151 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ EGFR P00533 2/20 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
SCHEMBL4825748 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL4831122 0.88 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ENPSR1LMNA
SCHEMBL4835654 0.83 PARP1 (0.39) ALDH1A1KMT2AL3MBTL1GAAGLA
SCHEMBL4833641 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4833730 0.83 BRAF (0.40) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL4834660 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4836558 0.82 ALDH1A1 (0.43) ALDH1A1
Hydrochloric Acid SCHEMBL4830967 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4831404 0.81 RAB9A (0.37) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4833908 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E

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 906/4885MEN1 303/4885KMT2A 324/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885MEN1 1454/4885KMT2A 334/4885

“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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