SCHEMBL2228607

SCHEMBL2228607

CC(C)n1cc(-c2ccnc(Nc3ccc(F)c(C(=O)O)c3)n2)c2ccncc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 3/20 0.45
CCNT1 O60563 2/20 0.45
KCNH2 Q12809 3/20 0.45
CDK4 P11802 2/20 0.44
CDKL1 Q00532 1/20 0.44
CDK2 P24941 6/20 0.44
MKNK2 Q9HBH9 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
GSK3B P49841 4/20 0.42
DYRK1A Q13627 2/20 0.42
NFATC1 O95644 1/20 0.42
BRD4 O60885 1/20 0.41
CCND1 P24385 2/20 0.41
CDK6 Q00534 2/20 0.41
EGFR P00533 2/20 0.40
CDK1 P06493 2/20 0.40
TGFBR1 P36897 1/20 0.39
AURKA O14965 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL2227237 0.84 ABL1 (0.57) CDK9CCNT1CDK4CDK2MKNK2
SCHEMBL2227736 0.83 MKNK1 (0.43) CDK9CCNT1KCNH2CDK4CDKL1
SCHEMBL2230142 0.83 CDK2 (0.53) CDK9CCNT1CDK4CDK2MKNK2
SCHEMBL2229567 0.82 CAMK2D (0.43) CDK9CCNT1CDK4CDK2MKNK2
SCHEMBL2226553 0.82 MKNK1 (0.49) CDK9CCNT1CDK4CDK2MKNK2
SCHEMBL2228372 0.81 GSK3B (0.50) CDK9CCNT1CDK4CDK2MKNK2
SCHEMBL2227733 0.81 GSK3B (0.50) CDK9CCNT1CDK4CDK2MKNK2
SCHEMBL2227770 0.81 GSK3B (0.53) CDK9CCNT1CDK4CDK2MKNK2
SCHEMBL2227901 0.81 CDK2 (0.57) CDK9CCNT1KCNH2CDK4CDK2
SCHEMBL2230864 0.81 MKNK1 (0.43) CDK9CCNT1CDK4CDK2MKNK2

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 4 patents. 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
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO 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 CDK9 428/4885CCNT1 299/4885KCNH2 757/4885

“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.