SCHEMBL4825837

SCHEMBL4825837

COc1ccc(N2C(N)=c3ccoc3=NC2c2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ P2RX3 P56373 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ EP300 Q09472 1/20 0.30
▸ MAP3K11 Q16584 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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 0.93 MEN1 (0.40) ALDH1A1P2RX3L3MBTL1SYKMEN1
SCHEMBL4836362 0.85 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATP53PTGS1
SCHEMBL4833641 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1KMT2ATP53
SCHEMBL4833680 0.82 ALDH1A1 (0.46) ALDH1A1MEN1MAPK1KMT2ATP53
SCHEMBL4831122 0.81 ALDH1A1 (0.40) ALDH1A1MAOBPTGS1PTGS2
SCHEMBL4833973 0.81 GRM1 (0.36) —
SCHEMBL4833500 0.81 ALDH1A1 (0.37) ALDH1A1TP53KDRPTGS1PTGS2
SCHEMBL4833484 0.81 HSD11B1 (0.43) ALDH1A1P2RX3MEN1POLBMAPK1
SCHEMBL4825906 0.80 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2APTGS1
SCHEMBL4826469 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1POLBKMT2A

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 ALDH1A1 906/4885P2RX3 1980/4885MAOA 2677/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885P2RX3 444/4885MAOA 3188/4885

“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