SCHEMBL18354436

SCHEMBL18354436

CCCCCCCCNc1nc(-c2cccnc2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 11/20 1.00
▸ ACP1 P24666 1/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ LMNA P02545 2/20 0.71
▸ HPGD P15428 1/20 0.71
▸ PDE5A O76074 3/20 0.69
▸ GSK3A P49840 1/20 0.69
▸ GSK3B P49841 1/20 0.69
▸ CYP1A2 P05177 4/20 0.66
▸ CYP3A4 P08684 4/20 0.66
▸ CLK4 Q9HAZ1 4/20 0.66
▸ TSHR P16473 3/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ CYP2D6 P10635 3/20 0.65
▸ CYP2C19 P33261 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ USP2 O75604 1/20 0.65
▸ TP53 P04637 1/20 0.65

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
SCHEMBL18354098 0.94 GBA1 (1.00) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL4866807 0.89 ACP1 (0.89) GBA1ACP1ALDH1A1LMNAPDE5A
SCHEMBL18354428 0.86 GBA1 (1.00) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL18354427 0.85 GBA1 (1.00) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL4864234 0.84 ACP1 (1.00) GBA1ACP1ALDH1A1PDE5AMAPK1
SCHEMBL7278041 0.83 GBA1 (0.71) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL18354434 0.83 GBA1 (1.00) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7278036 0.82 GBA1 (1.00) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL18354351 0.81 GBA1 (0.84) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL18354079 0.81 GBA1 (1.00) GBA1ALDH1A1LMNAHPGDPDE5A

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 1/4885ACP1 1163/4885ALDH1A1 2347/4885
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 GBA1 1/4885ACP1 1163/4885ALDH1A1 2347/4885
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 GBA1 1/4885ACP1 1163/4885ALDH1A1 2347/4885
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 GBA1 1/4885ACP1 1163/4885ALDH1A1 2347/4885

“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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