SCHEMBL2228251

SCHEMBL2228251

CC(C)n1cc(-c2ccnc(NC(=O)c3ccccc3)n2)c2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ NFATC1 O95644 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ PRKCA P17252 3/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ PRKCB P05771 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PRKCH P24723 1/20 0.43
▸ PRKCI P41743 1/20 0.43
▸ PRKCE Q02156 1/20 0.43
▸ PRKCQ Q04759 1/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ PRKCD Q05655 1/20 0.43

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
SCHEMBL2228935 0.85 ALDH1A1 (0.53) DYRK1AGSK3BNFATC1MKNK1MKNK2
SCHEMBL2227770 0.83 GSK3B (0.53) DYRK1AGSK3BNFATC1MKNK1MKNK2
SCHEMBL2227237 0.83 ABL1 (0.57) DYRK1AGSK3BNFATC1MKNK1MKNK2
SCHEMBL2229247 0.83 CDK2 (0.58) DYRK1AGSK3BNFATC1MKNK1MKNK2
SCHEMBL2229775 0.82 MKNK1 (0.47) GSK3BMKNK1MKNK2PRKCAABL1
SCHEMBL2231144 0.82 STK17A (0.47) GSK3BMKNK1MKNK2PRKCAABL1
SCHEMBL2227901 0.82 CDK2 (0.57) DYRK1AGSK3BNFATC1MKNK1MKNK2
SCHEMBL2228832 0.80 CDK2 (0.48) DYRK1AGSK3BNFATC1MKNK1MKNK2
SCHEMBL2227450 0.80 ABL1 (0.60) DYRK1AGSK3BNFATC1MKNK1MKNK2
SCHEMBL2227809 0.79 CCND1 (0.47) DYRK1AGSK3BNFATC1MKNK1MKNK2

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 6 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

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 DYRK1A 1517/4885GSK3B 2618/4885NFATC1 547/4885

“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.

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