SCHEMBL16433189

SCHEMBL16433189

c1ccc(Oc2ccc(Oc3ncnc4cn[nH]c34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
FLT3 P36888 4/20 0.44
TRPA1 O75762 1/20 0.43
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SCN4A P35499 1/20 0.40
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
EGFR P00533 1/20 0.38
PIK3CD O00329 1/20 0.37
NUDT14 O95848 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 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
SCHEMBL19223147 0.77 KDM4E (0.38) LTA4HFLT3TRPA1NPC1RAB9A
SCHEMBL16432196 0.77 TRPA1 (0.55) LTA4HTRPA1KDRTEKNPC1
SCHEMBL17229942 0.72 FLT3 (0.70) FLT3TRPA1KDR
SCHEMBL2748271 0.70 MEN1 (0.43) TRPA1KDRNPC1RAB9ATSHR
SCHEMBL3778969 0.69 ADORA2A (0.50) L3MBTL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3979754 0.68 EGFR (0.69) TRPA1KDRTEKNPC1RAB9A
SCHEMBL19223135 0.68 KDR (0.47) FLT3TRPA1KDRTEKMEN1
SCHEMBL252692 0.67 TRPA1 (0.58) LTA4HTRPA1NPC1RAB9ATSHR
SCHEMBL2747947 0.67 TRPA1 (0.40) TRPA1KDRNPC1RAB9ATSHR
SCHEMBL2748586 0.67 TRPA1 (0.40) TRPA1KDRNPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049417-B1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-10-17 EP disclosed
US-10005784-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-10005784-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-9738648-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-9738648-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-08-22 US disclosed
US-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
EP-3049417-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-03 EP disclosed
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
WO-2015017502-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-02-05 WO disclosed
WO-2015017502-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-02-05 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-20170226113-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN LTA4H 1899/4885FLT3 6/4885TRPA1 1872/4885
US-20160159804-A1 PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN LTA4H 1899/4885FLT3 6/4885TRPA1 1872/4885
US-10005784-B2 Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof BTK, SYK, LYN LTA4H 2008/4885FLT3 7/4885TRPA1 2180/4885

“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.