SCHEMBL4832948

SCHEMBL4832948

NC1=c2ccoc2=NCN1c1cccc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ ADRA2C P18825 1/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ TSHR P16473 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ RECQL P46063 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
SCHEMBL6942579 0.60 ADRA2C (0.80) MAPTADRA2CDDB1CRBNMEN1
SCHEMBL26185698 0.60 ADRA2C (0.61) MAPTADRA2CDDB1CRBNMEN1
Hydrochloric Acid SCHEMBL7077636 0.59 ADRA2C (0.77) MAPTADRA2CDDB1CRBNMEN1
SCHEMBL15289763 0.58 ADRA2C (0.68) MAPTADRA2CDDB1CRBNMEN1
SCHEMBL533024 0.58 ADRA2C (0.68) MAPTADRA2CDDB1CRBNMEN1
SCHEMBL6992774 0.57 ADRA2C (0.61) MAPTADRA2CMEN1ALDH1A1KMT2A
SCHEMBL4874890 0.57 ADRA2C (0.61) MAPTADRA2CDDB1CRBNMEN1
SCHEMBL224567 0.57 ADRA2C (0.61) MAPTADRA2CMEN1ALDH1A1KMT2A
SCHEMBL31444802 0.56 ADRA2C (0.54) MAPTADRA2CDDB1CRBNMEN1
SCHEMBL1936882 0.56 DDB1 (0.51) MAPTADRA2CDDB1CRBNMEN1

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 5 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-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 MAPT 2499/4885ADRA2C 3810/4885DDB1 482/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR MAPT 2424/4885ADRA2C 1540/4885DDB1 450/4885

“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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