SCHEMBL17800894

SCHEMBL17800894

CN(C)c1ccc(-c2nc(NCC(c3cccnc3)c3ccc[nH]3)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
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ ALOX15 P16050 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ RECQL P46063 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL17800895 0.92 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800887 0.89 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800935 0.85 SLC6A3 (1.00) SLC6A3
SCHEMBL17800914 0.84 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17799967 0.81 SLC6A3 (0.68) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800938 0.81 SLC6A3 (0.89) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800057 0.80 SLC6A3 (0.67) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800939 0.80 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800923 0.79 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2
SCHEMBL17800924 0.77 SLC6A3 (1.00) SLC6A3ALDH1A1LMNATP53CYP1A2

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 11 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 claimed
EP-3226868-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS Ananthan, Subramaniam (US) 2017-10-11 — — EP claimed
WO-2016090299-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 — — WO claimed
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 — — US claimed
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
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
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

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 3/4885ALDH1A1 1484/4885LMNA 4157/4885
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885ALDH1A1 1897/4885LMNA 4260/4885

“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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