SCHEMBL16670408

SCHEMBL16670408

NC(=O)c1cnc(Cl)cc1Oc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.58
KCNQ2 O43526 4/20 0.58
KCNE1 P15382 2/20 0.58
KCNQ1 P51787 2/20 0.58
KMT2A Q03164 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
PNLIP P16233 1/20 0.54
PGR P06401 2/20 0.53
HDAC3 O15379 1/20 0.48
BRAF P15056 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL16670239 0.78 MEN1 (0.45) KMT2ARAB9AMEN1PGR
SCHEMBL16670606 0.77 KMT2A (0.44) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL16670810 0.76 MEN1 (0.44) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL8361085 0.73 PGR (0.96) KMT2ARAB9AMEN1PNLIPPGR
SCHEMBL5694520 0.72 PGR (1.00) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL6140934 0.71 PGR (0.79) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL5217004 0.71 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL28382025 0.71 PGR (0.69) KMT2ARAB9AMEN1PGRNPC1
SCHEMBL31023513 0.70 NR1H4 (0.54) KCNQ3KCNQ2KMT2ARAB9AMEN1
SCHEMBL11650148 0.70 PGR (0.81) KMT2ARAB9AMEN1PGRHDAC3

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 9 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
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
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 KCNQ3 2484/4885KCNQ2 1954/4885KCNE1 2047/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK KCNQ3 2484/4885KCNQ2 1954/4885KCNE1 2047/4885

“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.