SCHEMBL5128956

SCHEMBL5128956

COc1ccc(N2C(N)=c3ccoc3=NC2C(=O)NCc2ccccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ P2RX7 Q99572 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SENP8 Q96LD8 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
SCHEMBL4835115 0.79 HCRTR1 (0.45) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL4831333 0.79 CYP2C19 (0.39) BACE1ACHEALDH1A1MAPTHPGD
SCHEMBL4836325 0.78 CYP2D6 (0.38) ALDH1A1APOBEC3AAPOBEC3GHPGDSMN1; SMN2
SCHEMBL4834819 0.78 ALDH1A1 (0.36) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL4836739 0.78 POLB (0.40) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL4825844 0.77 POLB (0.39) ALDH1A1APOBEC3AAPOBEC3GMAPTHPGD
SCHEMBL4833553 0.77 MAPT (0.40) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL4831357 0.76 ALDH1A1 (0.38) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL4835760 0.76 L3MBTL1 (0.38) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL4834037 0.75 KMT2A (0.39) ALDH1A1MAPTHPGDKMT2AMEN1

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 claimed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US 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

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 BACE1 4462/4885P2RX7 2180/4885ACHE 4857/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR BACE1 4174/4885P2RX7 606/4885ACHE 4847/4885

“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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