SCHEMBL4833973

SCHEMBL4833973

NC1=c2ccoc2=NC(c2ccc3[nH]ccc3c2)N1c1ccc(-c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 1/20 0.36
▸ ATR Q13535 3/20 0.35
▸ GHSR Q92847 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32
▸ CHRNA7 P36544 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ TNKS O95271 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 1/20 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
SCHEMBL4834379 0.74 MEN1 (0.40) GHSR
SCHEMBL4833979 0.71 GRM1 (0.39) GRM1ATRGHSRJAK2NPC1
SCHEMBL6657347 0.67 NPC1 (0.64) GRM1ATRNPC1CYP11B1CYP11B2
SCHEMBL4829351 0.63 KDM4E (0.46) —
SCHEMBL4833063 0.61 ALDH1A1 (0.39) —
Hydrochloric Acid SCHEMBL4836575 0.60 ALDH1A1 (0.40) —
SCHEMBL7497614 0.60 FGFR1 (0.62) ATRGHSRCYP11B1CYP11B2CYP17A1
SCHEMBL1422788 0.59 NPC1 (0.66) NPC1CHRNB2CHRNA4
SCHEMBL4829117 0.58 ALDH1A1 (0.39) —
SCHEMBL14082569 0.57 ATR (0.65) ATRNPC1CYP11B1CYP11B2

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 GRM1 3741/4885ATR 771/4885GHSR 3082/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR GRM1 3284/4885ATR 347/4885GHSR 2911/4885

“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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