SCHEMBL17645708

SCHEMBL17645708

CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccnc4[nH]c(-c5ccc(C(=O)N6CCOCC6)cc5)nc34)c2CO)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.81
CLK2 P49760 1/20 0.55
JAK2 O60674 1/20 0.48
INSR P06213 1/20 0.48
IGF1R P08069 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
SRC P12931 1/20 0.48
CYP2C19 P33261 1/20 0.48
FLT3 P36888 1/20 0.48
TEC P42680 1/20 0.48
TXK P42681 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
BMX P51813 1/20 0.48
JAK3 P52333 1/20 0.48
ITK Q08881 1/20 0.48
MAPKAPK3 Q16644 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
SCHEMBL17645907 0.90 BTK (0.80) BTKJAK2INSRIGF1RCYP3A4
SCHEMBL17645800 0.89 BTK (0.65) BTKCLK2
SCHEMBL17645832 0.83 BTK (0.55) BTKJAK2INSRCYP3A4JAK3
SCHEMBL16353735 0.78 BTK (0.81) BTKCLK2JAK2INSRIGF1R
SCHEMBL17645814 0.77 BTK (0.57) BTK
SCHEMBL16375234 0.76 BTK (0.84) BTKCLK2JAK2INSRIGF1R
SCHEMBL17645653 0.76 BTK (0.80) BTK
SCHEMBL17645920 0.76 BTK (0.58) BTK
SCHEMBL14027891 0.76 JAK2 (0.51) BTKJAK2INSRJAK3
SCHEMBL16343856 0.76 BTK (1.00) BTK

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
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
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
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
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
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US 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 BTK 1/4885CLK2 270/4885JAK2 17/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885CLK2 257/4885JAK2 20/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885CLK2 270/4885JAK2 17/4885

“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.