SCHEMBL2229567

SCHEMBL2229567

CC(C)n1cc(-c2ccnc(Nc3cc(Cl)cc(C(=O)O)c3)n2)c2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.43
CDK2 P24941 3/20 0.43
CDK4 P11802 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
PRKCA P17252 1/20 0.42
DYRK1A Q13627 3/20 0.42
GSK3B P49841 2/20 0.42
NFATC1 O95644 1/20 0.42
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CCND1 P24385 2/20 0.41
CDK6 Q00534 2/20 0.41
SYK P43405 3/20 0.40
EGFR P00533 3/20 0.39
BRAF P15056 1/20 0.38
DYRK3 O43781 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL2228876 0.91 CDK2 (0.45) CAMK2DCDK2CDK4MKNK1MKNK2
SCHEMBL2229617 0.90 CDK2 (0.52) CDK2CDK4MKNK1MKNK2ABL1
SCHEMBL2230864 0.90 MKNK1 (0.43) CAMK2DCDK2CDK4MKNK1MKNK2
SCHEMBL2227237 0.88 ABL1 (0.57) CAMK2DCDK2CDK4MKNK1MKNK2
SCHEMBL2229685 0.87 GSK3B (0.46) CAMK2DCDK2CDK4MKNK1MKNK2
SCHEMBL2228832 0.85 CDK2 (0.48) CAMK2DCDK2CDK4MKNK1MKNK2
SCHEMBL2226903 0.83 ABL1 (0.53) CAMK2DCDK2CDK4MKNK1MKNK2
SCHEMBL2226944 0.83 CDK2 (0.43) CDK2CDK4MKNK1MKNK2ABL1
SCHEMBL2227733 0.83 GSK3B (0.50) CDK2CDK4MKNK1MKNK2DYRK1A
SCHEMBL2228203 0.82 MKNK1 (0.47) CAMK2DCDK2CDK4MKNK1MKNK2

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 7 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 claimed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO claimed
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
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 CAMK2D 1395/4885CDK2 381/4885CDK4 405/4885

“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.