SCHEMBL6237894

SCHEMBL6237894

Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 7/20 0.64
KDM4E B2RXH2 5/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TP53 P04637 2/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 5/20 0.54
ATM Q13315 2/20 0.54
TLR9 Q9NR96 1/20 0.54
SRPK1 Q96SB4 1/20 0.49
MEN1 O00255 4/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL19092124 0.79 RPS6KB2 (0.64) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL6234080 0.79 RPS6KB2 (0.64) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL16027135 0.79 RPS6KB2 (0.74) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL31393470 0.79 RPS6KB2 (0.74) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL6232602 0.78 ABCG2 (0.55) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL7692571 0.78 RPS6KB2 (1.00) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL28450107 0.78 NPC1 (0.67) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL19066635 0.77 RPS6KB2 (0.71) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL6236081 0.77 RPS6KB2 (0.70) RPS6KB2KDM4EMAPTALDH1A1NPC1
SCHEMBL6239309 0.77 RPS6KB2 (0.70) RPS6KB2KDM4EMAPTALDH1A1NPC1

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-12077527-B2 Compositions and methods for inhibiting ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-09-03 US disclosed
US-20220117958-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2022-04-21 US disclosed
US-20220117958-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2022-04-21 US disclosed
EP-3856184-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 The Trustees of the University of Pennsylvania (US) 2021-08-04 EP disclosed
US-20200291005-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2020-09-17 US disclosed
US-20200291005-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2020-09-17 US disclosed
EP-3687628-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 The Trustees of The University of Pennsylvania (US) 2020-08-05 EP disclosed
WO-2020069093-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-04-02 WO disclosed
WO-2019067528-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-04-04 WO disclosed
WO-2019067528-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-04-04 WO disclosed
WO-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 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 (3 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-12077527-B2 Compositions and methods for inhibiting ACSS2 ACSS2, ACSL3, ACSL1 RPS6KB2 1234/4885KDM4E 1131/4885MAPT 949/4885
US-20200291005-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 ACSS2, ACSL3, ACSL1 RPS6KB2 1234/4885KDM4E 1131/4885MAPT 949/4885
US-20220117958-A1 COMPOSITIONS AND METHODS FOR INHIBITING ACSS2 ACSS2, ACSL3, ACSL1 RPS6KB2 1234/4885KDM4E 1131/4885MAPT 949/4885

“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.