SCHEMBL19568944

SCHEMBL19568944

Clc1ccc2nc(-c3cccc(Br)c3)c(Nc3ccc4c(c3)OCCO4)n2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 0.69
▸ GAA P10253 14/20 0.69
▸ TP53 P04637 8/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HTT P42858 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ LMNA P02545 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
SCHEMBL10077260 0.81 MAPT (1.00) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL17131808 0.80 MAPT (0.89) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL12360676 0.79 MAPT (1.00) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL2249830 0.74 MAPT (0.70) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL17131819 0.74 MAPT (1.00) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL10077405 0.73 MAPT (1.00) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL2252270 0.72 MAPT (0.55) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL2254064 0.72 MAPT (0.72) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL2252362 0.71 MAPT (0.65) MAPTGAATP53SMN1; SMN2HTT
SCHEMBL2252221 0.71 MAPT (0.69) MAPTGAATP53SMN1; SMN2HTT

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 MAPT 3472/4885GAA 3778/4885TP53 192/4885
US-20200323855-A1 PAK1 INHIBITORS AND USES THEREOF PAK1, CDC42, CDC42BPG MAPT 3472/4885GAA 3778/4885TP53 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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