SCHEMBL5128578

SCHEMBL5128578

CCOc1ccc(C2N=c3occc3=C(N)N2c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.43
▸ LMNA P02545 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ MAOB P27338 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CACNA2D1 P54289 2/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 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
SCHEMBL4836547 0.89 ALDH1A1 (0.43) ABCB1HSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL4826532 0.89 ALDH1A1 (0.43) ABCB1HSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL4831175 0.82 ALDH1A1 (0.41) HSD17B10ALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL4833641 0.81 ALDH1A1 (0.49) LMNAHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL4829029 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTGAACYP3A4
SCHEMBL4825681 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTGAATDP1
SCHEMBL4825771 0.75 ALOX15 (0.39) ALDH1A1SMN1; SMN2NPSR1GAAPOLB
SCHEMBL4831211 0.74 ALDH1A1 (0.43) LMNAHSD17B10ALDH1A1MAPTTDP1
SCHEMBL4829270 0.74 ALDH1A1 (0.43) ABCB1ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL4833165 0.74 ALDH1A1 (0.38) HSD17B10ALDH1A1MAOBGAAPOLB

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR ABCB1 1433/4885LMNA 4131/4885HSD17B10 3395/4885

“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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