SCHEMBL4833690

SCHEMBL4833690

COc1ccc(C2=Nc3occc3C(N)N2c2ccc(N)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ RAD51 Q06609 1/20 0.36
▸ APP P05067 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL4833648 0.95 CA1 (0.34) ALDH1A1RAB9APTGS2APPCA1
SCHEMBL4829275 0.90 NPBWR1 (0.36) MAPTSMN1; SMN2TP53
SCHEMBL4835855 0.88 MAOB (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL4826539 0.88 MAPT (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2TP53
SCHEMBL4831217 0.88 NPBWR1 (0.36) ALDH1A1MAPTKDM4ETP53HSD17B10
SCHEMBL4834446 0.88 CYP1A1 (0.35) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL4829336 0.88 LTA4H (0.39) NPC1RAB9A
SCHEMBL4836550 0.88 MAPT (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2TP53
SCHEMBL4826035 0.87 CDK5 (0.35) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL4836556 0.87 CHRNA7 (0.35) MAPTKDM4EMAPK1PTGS2PTGS1

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 3 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

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 906/4885MAPT 2499/4885KDM4E 580/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ALDH1A1 1144/4885MAPT 2424/4885KDM4E 202/4885

“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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