SCHEMBL19568911

SCHEMBL19568911

Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(N(C)C)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 19/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ GAA P10253 17/20 0.89
▸ TP53 P04637 9/20 0.89
▸ KDM4E B2RXH2 4/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ NPC1 O15118 1/20 0.75
▸ RAB9A P51151 1/20 0.75
▸ MAPK1 P28482 1/20 0.69
▸ POLB P06746 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ MEN1 O00255 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PPP1CA P62136 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL10077268 0.94 MAPT (1.00) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL19569163 0.91 MAPT (0.83) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL2253797 0.83 MAPT (0.70) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL31344107 0.82 MAPT (1.00) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL10077294 0.82 MAPT (1.00) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL10077260 0.82 MAPT (1.00) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL2252198 0.81 MAPT (0.78) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL31344185 0.80 MAPT (0.79) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL10077283 0.80 GAA (1.00) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL2254207 0.79 MAPT (0.70) MAPTSMN1; SMN2GAATP53KDM4E

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 3472/4885SMN1; SMN2 3178/4885GAA 3778/4885
US-20200323855-A1 PAK1 INHIBITORS AND USES THEREOF PAK1, CDC42, CDC42BPG MAPT 3472/4885SMN1; SMN2 3178/4885GAA 3778/4885

“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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