SCHEMBL3513683

SCHEMBL3513683

CNc1cc(Br)cnc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
DYRK1A Q13627 3/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL21508478 0.79 HTT (0.34) HTTKMT2AALDH1A1NPC1DYRK1A
SCHEMBL2067182 0.79 GABRA1 (0.36) HTTKMT2AALDH1A1NPC1DYRK1A
SCHEMBL22518949 0.77 KMT2A (0.35) HTTKMT2AALDH1A1NPC1DYRK1A
SCHEMBL2066697 0.77 SMN1; SMN2 (0.36) HTTKMT2AALDH1A1NPC1DYRK1A
SCHEMBL27688260 0.77 NOS3 (0.35) NPC1RPS6KA3
SCHEMBL856790 0.76 SLC22A12 (0.44) HTTKMT2AALDH1A1NPC1
SCHEMBL25147686 0.75 GRM4 (0.43) HTTKMT2AALDH1A1NPC1JAK2
SCHEMBL12722223 0.75 KMT2A (0.54) HTTKMT2AALDH1A1NPC1DYRK1A
SCHEMBL7995393 0.75 KMT2A (0.34) HTTKMT2AALDH1A1DYRK1AAURKA
SCHEMBL29705465 0.75 KMT2A (0.54) HTTKMT2AALDH1A1NPC1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200787-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-04 EP disclosed
EP-3200787-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-09-04 EP disclosed
US-9969749-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170275297-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-20170275297-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
EP-3200787-A1 INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2017-08-09 EP disclosed
WO-2016053771-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-04-07 WO disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 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 (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-20170275297-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 HTT 3983/4885KMT2A 529/4885ALDH1A1 2734/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 HTT 1605/4885KMT2A 1019/4885ALDH1A1 2405/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 HTT 1605/4885KMT2A 1019/4885ALDH1A1 2405/4885

“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.