SCHEMBL18354440

SCHEMBL18354440

COC(=O)CCCCCCCCC#Cc1ccc(OCCN(C)c2nc(-c3cccnc3)nc3ccccc23)cc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 19/20 0.85
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL18354469 0.92 GBA1 (1.00) GBA1
SCHEMBL18354447 0.89 GBA1 (0.76) GBA1
SCHEMBL18353966 0.88 GBA1 (1.00) GBA1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18354360 0.86 GBA1 (0.73) GBA1
SCHEMBL22403157 0.84 GBA1 (0.85) GBA1
SCHEMBL20710513 0.82 GBA1 (0.79) GBA1
SCHEMBL21790461 0.82 GBA1 (0.81) GBA1
SCHEMBL20710508 0.81 GBA1 (0.83) GBA1
SCHEMBL22403117 0.80 GBA1 (1.00) GBA1
SCHEMBL18354349 0.80 GBA1 (0.58) GBA1ALDH1A1MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2021-03-02 — — US disclosed
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — US disclosed
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-01-01 — — US disclosed
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 — — US disclosed
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 — — US disclosed
WO-2017004405-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 — — 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 (4 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-10934270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 GBA1 1/4885ALDH1A1 2347/4885MAPT 1178/4885
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 GBA1 1/4885ALDH1A1 2347/4885MAPT 1178/4885
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 GBA1 1/4885ALDH1A1 2347/4885MAPT 1178/4885
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 GBA1 1/4885ALDH1A1 2347/4885MAPT 1178/4885

“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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