SCHEMBL12440236

SCHEMBL12440236

Nc1ncc(Br)c2ccncc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.58
TBK1 Q9UHD2 1/20 0.46
IMPDH2 P12268 2/20 0.43
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAP4K4 O95819 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
CLK1 P49759 2/20 0.37
DYRK1A Q13627 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL30551090 0.84 AXL (0.48) AXLTBK1IMPDH2EP300KAT2B
SCHEMBL25323059 0.84 AXL (0.48) AXLTBK1IMPDH2EP300KAT2B
SCHEMBL2673428 0.77 PLAU (0.52) AXLHTTKMT2ACYP3A4MAP4K4
SCHEMBL15635311 0.76 AXL (0.48) AXLIMPDH2EP300KAT2BKAT8
SCHEMBL25323051 0.76 TBK1 (0.46) AXLTBK1IMPDH2EP300KAT2B
SCHEMBL17068258 0.76 TBK1 (0.46) AXLTBK1IMPDH2EP300KAT2B
SCHEMBL21436749 0.75 AXL (0.52) AXLTBK1IMPDH2EP300KAT2B
SCHEMBL3382695 0.75 AXL (0.47) AXLIMPDH2EP300KAT2BKAT8
SCHEMBL246823 0.73 AXL (1.00) AXLIMPDH2EP300KAT2BKAT8
SCHEMBL30319516 0.73 AXL (1.00) AXLIMPDH2EP300KAT2BKAT8

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9382244-B2 7-azaindole-2,7-naphthyridine derivative for the treatment of tumours MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9382244-B2 7-azaindole-2,7-naphthyridine derivative for the treatment of tumours MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-9382244-B2 7-azaindole-2,7-naphthyridine derivative for the treatment of tumours MERCK PATENT GMBH (DE) 2016-07-05 US disclosed
US-20150252041-A1 7-AZAINDOLE-2,7-NAPHTHYRIDINE DERIVATIVE FOR THE TREATMENT OF TUMOURS MERCK PATENT GMBH (DE) 2015-09-10 US disclosed
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
WO-2014053208-A1 7-AZAINDOL-2,7-NAPHTHYRIDINE DERIVATIVE FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2014-04-10 WO disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2012119690-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2012-09-13 WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 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 (5 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 AXL 4698/4885TBK1 2023/4885IMPDH2 629/4885
US-20150252041-A1 7-AZAINDOLE-2,7-NAPHTHYRIDINE DERIVATIVE FOR THE TREATMENT OF TUMOURS MKI67, TK2, TYMP AXL 2291/4885TBK1 392/4885IMPDH2 252/4885
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D AXL 4833/4885TBK1 2753/4885IMPDH2 1312/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP AXL 4700/4885TBK1 377/4885IMPDH2 3572/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D AXL 4833/4885TBK1 2753/4885IMPDH2 1312/4885

“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.