SCHEMBL4834612

SCHEMBL4834612

NC1c2ccsc2N=CN1c1ccc(NC(=O)[C@H](N)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ1A Q9NRL2 1/20 0.41
▸ ROCK2 O75116 3/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ GLS O94925 4/20 0.36
▸ AAK1 Q2M2I8 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TTK P33981 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CCNA2 P20248 1/20 0.34

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
SCHEMBL4828982 1.00 BAZ1A (0.41) BAZ1AROCK2ROCK1GLSAAK1
SCHEMBL4829269 0.87 KCNQ2 (0.50) SMN1; SMN2POLBALDH1A1KCNQ2
SCHEMBL4829077 0.79 NPY2R (0.43) ROCK2KMT2AMEN1
SCHEMBL4831067 0.79 DDX3X (0.44) ROCK1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4829300 0.78 HDAC1 (0.43) MAPTNPSR1KDM4EALDH1A1GAA
SCHEMBL4825817 0.75 PKM (0.45) ROCK2ROCK1KMT2AMAPTMEN1
SCHEMBL4826281 0.74 RAB9A (0.48) KMT2AMAPTKDM4EMEN1SMN1; SMN2
SCHEMBL4833491 0.74 MAOA (0.49) KMT2AMAPTUSP2NPSR1KDM4E
SCHEMBL4825661 0.73 MAPT (0.48) KMT2AMAPTNPSR1MEN1SMN1; SMN2
SCHEMBL4831435 0.72 NPC1 (0.51) KMT2AMAPTKDM4EMEN1SMN1; SMN2

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-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — 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 BAZ1A 993/4885ROCK2 69/4885ROCK1 304/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR BAZ1A 2153/4885ROCK2 594/4885ROCK1 1867/4885

“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.

Send feedback