SCHEMBL4833149

SCHEMBL4833149

N#Cc1c(-c2ccc(-c3ccccc3)cc2)coc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 3/20 0.51
ALOX15 P16050 2/20 0.51
ADORA1 P30542 14/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
BLM P54132 1/20 0.47
CASP7 P55210 1/20 0.47
ADORA2A P29274 12/20 0.45
ADORA2B P29275 2/20 0.43
PIM1 P11309 1/20 0.42

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
SCHEMBL1785236 0.96 ALDH1A1 (0.54) ALDH1A1HSD17B10ALOX15ADORA1KDM4E
SCHEMBL27996225 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10ALOX15ADORA1KDM4E
SCHEMBL4866800 0.83 ADORA1 (0.46) ALDH1A1HSD17B10ADORA1KDM4EHPGD
SCHEMBL4830748 0.83 KMT2A (0.50) ALDH1A1HSD17B10ALOX15ADORA1KDM4E
SCHEMBL4870900 0.83 KDM4E (0.48) ALDH1A1HSD17B10ALOX15ADORA1KDM4E
SCHEMBL4835218 0.79 ADORA1 (0.51) ALDH1A1ADORA1KDM4EHPGDMEN1
SCHEMBL3117627 0.76 IKBKB (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2903130 0.72 KDM4E (0.55) ALDH1A1HSD17B10ALOX15ADORA1KDM4E
SCHEMBL5243215 0.72 PRKCZ (0.59) ALDH1A1HSD17B10ADORA1KDM4EHPGD
SCHEMBL16345765 0.71 ALDH1A1 (0.49) ALDH1A1HSD17B10ALOX15ADORA1KDM4E

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 disclosed
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-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 906/4885HSD17B10 2764/4885ALOX15 975/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885HSD17B10 3395/4885ALOX15 1289/4885

“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.