SCHEMBL6519685

SCHEMBL6519685

NCc1ccc2ncc(Br)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.41
AKT1 P31749 2/20 0.39
CYP2A6 P11509 1/20 0.37
KLKB1 P03952 1/20 0.36
MAP4K1 Q92918 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
ADRB2 P07550 1/20 0.35
LOX P28300 1/20 0.35
LOXL3 P58215 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 1/20 0.34
DYRK1A Q13627 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL14756190 0.86 TAAR1 (0.46) ADRB2KMT2ABACE1
SCHEMBL18563403 0.82 CYP1A2 (0.41) CYP2A6HTTKMT2ANPC1NOS1
SCHEMBL17242123 0.82 MALT1 (0.34) HTTKMT2ABACE1DYRK1ANPC1
SCHEMBL2147979 0.82 HSD17B10 (0.37) ROCK1KLKB1MAP4K1DYRK1ACA12
SCHEMBL31717019 0.82 DYRK1A (0.34) HTTKMT2ABACE1DYRK1ANPC1
SCHEMBL29151033 0.81 PDGFRB (0.34) HTTBACE1DYRK1ANPC1
SCHEMBL30745166 0.81 PDGFRB (0.34) HTTBACE1DYRK1ANPC1
SCHEMBL29151025 0.79 KDM4E (0.39) BACE1DYRK1ACA2NPC1
SCHEMBL30745169 0.79 KDM4E (0.39) BACE1DYRK1ACA2NPC1
SCHEMBL31325687 0.79 LOXL2 (0.43) ROCK1CYP2A6KLKB1MAP4K1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2023-06-27 US disclosed
US-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2023-06-27 US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
EP-2467383-A1 HETEROCYCLIC OXIME COMPOUNDS Novartis AG (CH) 2012-06-27 EP disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 WO disclosed
WO-2011020861-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-02-24 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-11685749-B2 C26-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR ROCK1 1306/4885AKT1 35/4885CYP2A6 3069/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR ROCK1 567/4885AKT1 23/4885CYP2A6 4648/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 ROCK1 457/4885AKT1 178/4885CYP2A6 362/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 ROCK1 457/4885AKT1 178/4885CYP2A6 362/4885

“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.