SCHEMBL16670419

SCHEMBL16670419

NC(=O)c1cnc(Cl)nc1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.52
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP10 Q53GL7 1/20 0.47
BTK Q06187 3/20 0.46
SYK P43405 1/20 0.46
CTNNB1 P35222 1/20 0.45
POLB P06746 3/20 0.45
CYP1A2 P05177 2/20 0.45
SCN9A Q15858 1/20 0.44
CHEK2 O96017 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP6 P55212 1/20 0.43
PLA2G10 O15496 1/20 0.41

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
SCHEMBL21596337 0.97 PIN1 (0.55) PIN1TDP1RAB9AMEN1KMT2A
SCHEMBL16597748 0.84 SCN9A (0.54) PIN1TDP1RAB9AMEN1KMT2A
SCHEMBL26984449 0.81 TDP1 (0.58) PIN1TDP1RAB9AMEN1KMT2A
SCHEMBL16670315 0.80 KMT2A (0.50) TDP1MEN1KMT2APARP10BTK
SCHEMBL16670718 0.80 BTK (0.53) TDP1RAB9AMEN1KMT2APARP10
SCHEMBL16671203 0.79 MEN1 (0.46) TDP1RAB9AMEN1KMT2APARP10
SCHEMBL13919652 0.78 XPO1 (0.60) PIN1TDP1MEN1KMT2A
SCHEMBL17673007 0.78 PIN1 (0.56) PIN1PARP10POLB
SCHEMBL16669692 0.78 RAB9A (0.57) TDP1RAB9AMEN1KMT2APARP10
SCHEMBL26984232 0.77 CYP1A2 (0.72) PIN1TDP1RAB9AMEN1KMT2A

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 11 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
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 PIN1 1257/4885TDP1 1162/4885RAB9A 2628/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK PIN1 1257/4885TDP1 1162/4885RAB9A 2628/4885

“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.