SCHEMBL2227077

SCHEMBL2227077

CC(C)n1cc(-c2ccnc(Nc3cccc(CN4CCN(C)CC4)c3)n2)c2ccncc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.55
▸ JAK3 P52333 4/20 0.55
▸ CCND1 P24385 2/20 0.50
▸ CDK6 Q00534 2/20 0.50
▸ ABL1 P00519 2/20 0.49
▸ BCR P11274 2/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ ACVR1 Q04771 1/20 0.49
▸ CDK2 P24941 4/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ DYRK3 O43781 1/20 0.46
▸ IGF1R P08069 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46

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
SCHEMBL2228958 0.86 CDK2 (0.64) JAK2JAK3SRCSYKACVR1
SCHEMBL2229089 0.82 CDK9 (0.44) CCND1CDK6ABL1BCRSYK
SCHEMBL2230360 0.82 AURKA (0.47) JAK2CCND1CDK6CDK2DYRK1A
SCHEMBL2227344 0.81 DYRK1A (0.57) ABL1BCRSRCSYKCDK2
SCHEMBL13425095 0.81 ABL1 (0.55) ABL1BCRSRCCDK2CCNE1
SCHEMBL2226553 0.81 MKNK1 (0.49) ABL1BCRCDK2CCNE1FLT3
SCHEMBL2229592 0.81 MKNK1 (0.49) ABL1BCRSRCCDK2CCNE1
SCHEMBL2227731 0.81 MKNK1 (0.51) ABL1BCRSYKCDK2CCNE1
SCHEMBL2226903 0.81 ABL1 (0.53) ABL1BCRCDK2DYRK1ACDK4
SCHEMBL2227770 0.80 GSK3B (0.53) ABL1CDK2CCNE1FLT3DYRK3

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 JAK2 708/4885JAK3 1581/4885CCND1 621/4885

“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.

Send feedback