SCHEMBL2227346

SCHEMBL2227346

CC(C)n1cc(/C=C/C(=O)N(C)C)c2ccnc(Cl)c21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MET P08581 1/20 0.33
IP6K1 Q92551 1/20 0.31
IP6K2 Q9UHH9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NTRK1 P04629 1/20 0.30
LMNA P02545 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL2226832 0.77 DYRK1A (0.47) MAP3K7TAB1CCNCCDK8IP6K1
SCHEMBL12444889 0.74 MAPT (0.39) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL2227349 0.74 MAPT (0.39) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL2229144 0.71 NTRK1 (0.36) NTRK1LMNA
SCHEMBL581279 0.71 NPC1 (0.45) CCNCCDK8LMNATRPM8
SCHEMBL5794035 0.64 MAPT (0.56) CCNCCDK8IP6K1IP6K2KDM4E
SCHEMBL12501312 0.63 MAPT (0.44) CCNCCDK8METIP6K1IP6K2
SCHEMBL4089000 0.63 IP6K1 (0.42) CCNCCDK8METIP6K1IP6K2
SCHEMBL13719066 0.63 IP6K1 (0.42) CCNCCDK8METIP6K1IP6K2
SCHEMBL9639798 0.63 NPC1 (0.43) CCNCCDK8LMNATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 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 (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-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 MAP3K7 127/4885TAB1 161/4885CCNC 1669/4885

“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.