SCHEMBL17645693

SCHEMBL17645693

CN(C)c1ccc(-c2nc3c(Cl)ccnc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.63
KIF11 P52732 1/20 0.49
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
PARP1 P09874 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GUSB P08236 1/20 0.41
RAB9A P51151 1/20 0.41
TCF4 P15884 1/20 0.41
CTNNB1 P35222 1/20 0.41
ALOX5 P09917 1/20 0.40
ADORA2B P29275 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL9692152 0.83 CCNB2 (0.46) AURKACCNB2CDK1CCNB1GSK3A
SCHEMBL17645772 0.83 AURKA (0.50) AURKAKIF11CCNB2CDK1CCNB1
SCHEMBL17646044 0.82 AURKA (0.43) AURKAKIF11CCNB2CDK1CCNB1
SCHEMBL4907943 0.78 SCD (0.44) AURKAPARP1ALOX5
SCHEMBL4909757 0.77 CCNB2 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4909647 0.76 KDM4E (0.47) CDK1GSK3AGSK3BPARP1KDM4E
SCHEMBL10735517 0.76 AURKA (0.64) AURKAKIF11CCNB2CDK1CCNB1
SCHEMBL4909019 0.76 RHEB (0.57) MAPTKDM4ENPC1RAB9AALOX5
SCHEMBL17289863 0.74 ALK (0.57) PARP1MAPTKDM4E
SCHEMBL4906902 0.73 ADORA2B (0.50) MAPTRAB9AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN AURKA 394/4885KIF11 4303/4885CCNB2 2710/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AURKA 403/4885KIF11 4503/4885CCNB2 2775/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AURKA 394/4885KIF11 4303/4885CCNB2 2710/4885

“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.