SCHEMBL17800930

SCHEMBL17800930

CN(C)c1ccc(-c2nc(NCC(c3ccccc3)n3ccnc3)c3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 18/20 1.00
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
TSHR P16473 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL17800919 0.84 SLC6A3 (1.00) SLC6A3
SCHEMBL17800911 0.82 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800938 0.81 SLC6A3 (0.89) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800939 0.81 SLC6A3 (1.00) SLC6A3MEN1ALDH1A1LMNATP53
SCHEMBL17800884 0.81 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17799789 0.81 SLC6A3 (0.68) SLC6A3
SCHEMBL17800921 0.80 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800923 0.80 SLC6A3 (1.00) SLC6A3MEN1ALDH1A1LMNATP53
SCHEMBL17800882 0.79 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800044 0.79 SLC6A3 (0.64) SLC6A3ALDH1A1

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
US-10087148-B2 Quinazolines as biogenic amine transport modulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTE OF HEALTH (US) 2018-10-02 US disclosed
EP-3226868-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS Ananthan, Subramaniam (US) 2017-10-11 EP disclosed
WO-2016090299-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO disclosed
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2016090299-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO disclosed
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US 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-10087148-B2 Quinazolines as biogenic amine transport modulators SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885MEN1 3040/4885ALDH1A1 1484/4885
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885MEN1 3287/4885ALDH1A1 1897/4885

“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.