SCHEMBL16670394

SCHEMBL16670394

N#Cc1cccc(Oc2ccc(O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
NR1H2 P55055 1/20 0.53
BAX Q07812 1/20 0.53
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PGR P06401 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10923033 0.91 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12943413 0.87 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPGR
SCHEMBL8379001 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPGR
SCHEMBL7186441 0.85 PGR (0.55) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL30358273 0.85 PGR (0.55) LTA4HPDE4APDE4BPDE4CPDE4D
Water SCHEMBL29061097 0.85 PGR (0.55) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL27839327 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL11420997 0.82 LTA4H (0.53) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL13192848 0.82 ALDH1A1 (0.66) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL18641303 0.82 LTA4H (0.53) LTA4HPDE4APDE4BPDE4CPDE4D

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
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
CN-105939998-B Heteroaryl compound and application thereof as BTK inhibitor 默克专利有限公司 2019-04-16 CN disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
CN-105939998-A Heteroaryl compounds as btk inhibitors and uses thereof 默克专利有限公司 2016-09-14 CN disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK LTA4H 1446/4885NR1H2 3917/4885BAX 1936/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK LTA4H 1446/4885NR1H2 3917/4885BAX 1936/4885

“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.