SCHEMBL12444986

SCHEMBL12444986

CC(C)n1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c2ccncc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.58
▸ JAK2 O60674 10/20 0.54
▸ CDK9 P50750 3/20 0.54
▸ CCNT1 O60563 2/20 0.54
▸ ACVR1 Q04771 2/20 0.53
▸ AURKA O14965 3/20 0.52
▸ CDK4 P11802 3/20 0.52
▸ AURKB Q96GD4 3/20 0.52
▸ CDK1 P06493 3/20 0.52
▸ KDR P35968 2/20 0.52
▸ PTK2 Q05397 2/20 0.52
▸ JAK3 P52333 4/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ FLT3 P36888 2/20 0.50
▸ CLK1 P49759 2/20 0.50
▸ CLK2 P49760 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ DYRK1A Q13627 2/20 0.50

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
SCHEMBL2227684 0.93 CDK2 (0.52) CDK2JAK2CDK9CCNT1ACVR1
SCHEMBL2227986 0.90 CCNT1 (0.54) CDK2JAK2CDK9CCNT1ACVR1
SCHEMBL2542950 0.86 ACVR1 (0.61) CDK2JAK2CDK9CCNT1ACVR1
SCHEMBL2541347 0.84 ACVR1 (0.57) CDK2JAK2CDK9CCNT1ACVR1
SCHEMBL2229836 0.84 GSK3B (0.51) CDK2CDK9CCNT1CDK4CDK1
SCHEMBL12444954 0.84 GSK3B (0.51) CDK2CDK9CCNT1CDK4CDK1
SCHEMBL13425118 0.83 GSK3B (0.50) CDK2CDK9CCNT1AURKACDK4
SCHEMBL2228372 0.83 GSK3B (0.50) CDK2CDK9CCNT1AURKACDK4
SCHEMBL2227733 0.83 GSK3B (0.50) CDK2CDK9CCNT1CDK4KDR
SCHEMBL2230142 0.83 CDK2 (0.53) CDK2CDK9CCNT1CDK4CLK1

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 3 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
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 CDK2 381/4885JAK2 708/4885CDK9 428/4885

“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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