SCHEMBL7433632

SCHEMBL7433632

c1cncc(-c2nc(NCC3CCCCC3)c3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 13/20 1.00
PDE5A O76074 6/20 0.89
ALDH1A1 P00352 4/20 0.64
LMNA P02545 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 2/20 0.64
CYP2C19 P33261 2/20 0.64
HSD17B10 Q99714 2/20 0.64
CLK4 Q9HAZ1 2/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
TP53 P04637 1/20 0.64
PTGS1 P23219 1/20 0.64
TBXAS1 P24557 1/20 0.64
PTGS2 P35354 1/20 0.64
KMT2A Q03164 1/20 0.64
HPGD P15428 1/20 0.63

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
SCHEMBL7280380 0.94 PDE5A (1.00) GBA1PDE5AALDH1A1LMNACYP1A2
SCHEMBL13252154 0.89 GBA1 (0.80) GBA1PDE5AMAPK1MEN1KMT2A
SCHEMBL18354465 0.89 GBA1 (1.00) GBA1PDE5AALDH1A1LMNAHPGD
SCHEMBL3460111 0.87 GBA1 (0.77) GBA1PDE5AALDH1A1TSHRMAPK1
SCHEMBL4101791 0.83 PDE5A (0.79) GBA1PDE5ALMNAMAPK1MEN1
SCHEMBL15966672 0.82 GBA1 (1.00) GBA1PDE5A
SCHEMBL18353876 0.82 GBA1 (1.00) GBA1PDE5A
SCHEMBL18353968 0.82 GBA1 (1.00) GBA1PDE5A
SCHEMBL18354085 0.81 GBA1 (1.00) GBA1PDE5A
SCHEMBL12170690 0.80 PDE5A (0.74) GBA1PDE5AALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
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
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP 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 1/4885PDE5A 641/4885ALDH1A1 2347/4885
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 GBA1 1/4885PDE5A 641/4885ALDH1A1 2347/4885
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 GBA1 1/4885PDE5A 641/4885ALDH1A1 2347/4885
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 GBA1 1/4885PDE5A 641/4885ALDH1A1 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.