SCHEMBL2227349

SCHEMBL2227349

CC(C)n1cc(C(=O)C=CN(C)C)c2ccnc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.39
HTT P42858 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 6/20 0.36
GAA P10253 5/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 2/20 0.35
CYP2C9 P11712 1/20 0.34
POLB P06746 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
SCHEMBL12444889 1.00 MAPT (0.39) MAPTHTTCYP1A2CYP2C19HPGD
SCHEMBL2536042 0.82 MAPT (0.38) MAPTHTTCYP1A2CYP2C19HPGD
SCHEMBL2536038 0.82 MAPT (0.38) MAPTHTTCYP1A2CYP2C19HPGD
SCHEMBL2229144 0.79 NTRK1 (0.36) HTTSMN1; SMN2LMNAPOLB
SCHEMBL12444936 0.77 NFATC1 (0.47) MAPTHTTRAB9ATDP1LMNA
SCHEMBL2226838 0.77 NFATC1 (0.47) MAPTHTTRAB9ATDP1LMNA
SCHEMBL12444901 0.75 MAPT (0.38) MAPTHTTCYP1A2CYP2C19HPGD
SCHEMBL2227346 0.74 MAP3K7 (0.34) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL3605170 0.72 MAPT (0.47) MAPTHTTCYP1A2CYP2C19HPGD
SCHEMBL13503036 0.72 MAPT (0.47) MAPTHTTCYP1A2CYP2C19HPGD

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 MAPT 4634/4885HTT 3956/4885CYP1A2 1913/4885

“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.