SCHEMBL4833722

SCHEMBL4833722

COc1ccc(N2C(N)=c3ccoc3=NC2Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SENP8 Q96LD8 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP6 Q9GZR1 2/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HSD11B1 P28845 4/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ GFER P55789 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL4833641 0.84 ALDH1A1 (0.49) ALDH1A1MEN1NPC1CASP3RAB9A
SCHEMBL4831357 0.81 ALDH1A1 (0.38) ALDH1A1RAB9AKMT2APTGS1PTGS2
SCHEMBL4835760 0.81 L3MBTL1 (0.38) ALDH1A1RAB9AKMT2APTGS1PTGS2
SCHEMBL4833680 0.81 ALDH1A1 (0.46) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4834360 0.78 RAB9A (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4833542 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APTGS1PTGS2
SCHEMBL4833458 0.78 HSD11B1 (0.44) ALDH1A1MEN1RAB9AKMT2APTGS1
SCHEMBL4833484 0.78 HSD11B1 (0.43) ALDH1A1MEN1KMT2APTGS1PTGS2
SCHEMBL4826426 0.78 PTGS2 (0.45) ALDH1A1PTGS1PTGS2CYP2D6
SCHEMBL4831432 0.78 PTGS2 (0.45) ALDH1A1PTGS1PTGS2CYP2D6

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 ALDH1A1 906/4885MEN1 303/4885NPC1 4117/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885MEN1 1454/4885NPC1 4782/4885

“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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