SCHEMBL19568997

SCHEMBL19568997

CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 19/20 0.89
▸ MAPT P10636 19/20 0.89
▸ TP53 P04637 9/20 0.89
▸ KDM4E B2RXH2 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ TDP1 Q9NUW8 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ HPGD P15428 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HTT P42858 1/20 0.52

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
SCHEMBL10077271 0.94 GAA (1.00) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2250773 0.81 GAA (0.73) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2250222 0.81 GAA (1.00) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2251935 0.79 MAPT (0.74) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2254381 0.79 GAA (0.70) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2257110 0.79 GAA (0.71) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2253480 0.78 GAA (0.69) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2255410 0.78 GAA (0.68) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2251728 0.78 MAPT (0.68) GAAMAPTTP53KDM4EALDH1A1
SCHEMBL2254407 0.77 MAPT (0.67) GAAMAPTTP53KDM4EALDH1A1

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-11065251-B2 PAK1 inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2021-07-20 — — US disclosed
US-11065251-B2 PAK1 inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2021-07-20 — — US disclosed
US-20200323855-A1 PAK1 INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2020-10-15 — — US disclosed
US-20200323855-A1 PAK1 INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2020-10-15 — — US disclosed
WO-2017192228-A1 PAK1 INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-11-09 — — 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-11065251-B2 PAK1 inhibitors and uses thereof PAK1, CDC42, CDC42BPG GAA 3778/4885MAPT 3472/4885TP53 192/4885
US-20200323855-A1 PAK1 INHIBITORS AND USES THEREOF PAK1, CDC42, CDC42BPG GAA 3778/4885MAPT 3472/4885TP53 192/4885

“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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