SCHEMBL4835115

SCHEMBL4835115

COc1ccc(N2C(N)=c3ccoc3=NC2C(=O)Nc2cccc(C#N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.45
▸ HCRTR2 O43614 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ USP2 O75604 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL4833804 0.87 POLB (0.42) ALDH1A1HPGDSMN1; SMN2USP2CYP3A4
SCHEMBL4831333 0.87 CYP2C19 (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL4836739 0.86 POLB (0.40) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL4834037 0.85 KMT2A (0.39) HCRTR1HCRTR2ALDH1A1HPGDKDM4E
SCHEMBL4825859 0.82 MAPT (0.44) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL5128956 0.79 BACE1 (0.40) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL4831051 0.78 ULK1 (0.39) GAAACSS2LMNAMAPT
SCHEMBL4826594 0.78 KMT2A (0.44) ALDH1A1KDM4ESMN1; SMN2GAACYP3A4
SCHEMBL4825844 0.78 POLB (0.39) ALDH1A1HPGDSMN1; SMN2GAACYP3A4
SCHEMBL4834819 0.77 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2GAA

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 HCRTR1 4711/4885HCRTR2 3770/4885ALDH1A1 906/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR HCRTR1 4739/4885HCRTR2 3604/4885ALDH1A1 1144/4885

“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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