SCHEMBL17660282

SCHEMBL17660282

CC(C)CNC(=O)c1ccc(C2CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
CYP2C9 P11712 1/20 0.52
MAPK11 Q15759 1/20 0.52
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MLYCD O95822 1/20 0.47
NAMPT P43490 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
EPHX2 P34913 2/20 0.42
TTK P33981 1/20 0.41
IDO1 P14902 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PDE10A Q9Y233 1/20 0.41
GABRA1 P14867 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
SCHEMBL17663686 0.84 IDO1 (0.44) MAPK14CYP2C9KMT2AKDM4EMEN1
SCHEMBL21207698 0.82 IDO1 (0.53) MAPK14CYP2C9KMT2ANAMPTKDM4E
SCHEMBL6755652 0.81 MAPK14 (0.46) MAPK14CYP2C9MAPK11HPGDNPSR1
SCHEMBL17660247 0.81 JAK2 (0.49) MLYCDPDE10AGABRA1
SCHEMBL17664670 0.79 BAZ2B (0.54) HPGDPDE10AGABRA1
SCHEMBL30016454 0.79 HDAC2 (0.46) KMT2AKDM4EMEN1GABRA1
SCHEMBL17660271 0.78 MLYCD (0.56) MAPK14HPGDNPSR1KMT2AGAA
SCHEMBL5421561 0.78 KDM4E (0.61) MAPK14CYP2C9MAPK11HPGDNPSR1
SCHEMBL3409371 0.77 HPGD (0.59) HPGDNPSR1KMT2AGAAHSD17B10
SCHEMBL6755649 0.77 HDAC1 (0.58) MAPK14CYP2C9MAPK11HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 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 (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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN MAPK14 812/4885CYP2C9 1762/4885MAPK11 1009/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN MAPK14 812/4885CYP2C9 1762/4885MAPK11 1009/4885

“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.