SCHEMBL21961374

SCHEMBL21961374

COC(=O)c1cn(C)nc1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.36
GAA P10253 3/20 0.36
ADCY10 Q96PN6 1/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 2/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
GSK3B P49841 1/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL15884497 0.84 ADORA3 (0.43) GAASMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL31499306 0.83 GAA (0.42) NR4A2GAAADCY10BRD4MAPT
SCHEMBL15884425 0.81 GAA (0.36) GAACXCR1CXCR2LMNASMN1; SMN2
SCHEMBL17869783 0.81 ATM (0.39) NR4A2GAAADCY10BRD4MAPT
SCHEMBL23142702 0.77 MAPT (0.40) NR4A2GAAADCY10BRD4MAPT
SCHEMBL24073847 0.75 GAA (0.40) NR4A2GAAADCY10BRD4MAPT
SCHEMBL25331868 0.74 CNR2 (0.39) NR4A2GAAADCY10BRD4MAPT
SCHEMBL4443917 0.74 CNR2 (0.47) NR4A2GAAADCY10BRD4MAPT
SCHEMBL841632 0.74 GAA (0.51) NR4A2GAABRD4MAPTSMN1; SMN2
SCHEMBL17869011 0.74 MAPT (0.45) NR4A2GAAADCY10BRD4MAPT

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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-10-05 US disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP 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 (1 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-11136311-B2 Heteroaromatic derivatives as NIK inhibitors NFKBIA, IKBKG, IKBKE NR4A2 1456/4885GAA 1383/4885ADCY10 3732/4885

“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.