SCHEMBL2545972

SCHEMBL2545972

CCn1cc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c2cncc(Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 2/20 0.54
▸ JAK2 O60674 3/20 0.51
▸ CDK2 P24941 5/20 0.49
▸ ACVR1 Q04771 2/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ JAK3 P52333 1/20 0.48
▸ EPHB4 P54760 1/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ SMG1 Q96Q15 2/20 0.46
▸ MAPK8 P45983 3/20 0.46
▸ MAPK10 P53779 3/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ CCNH P51946 1/20 0.46
▸ MNAT1 P51948 1/20 0.46
▸ EGFR P00533 2/20 0.46
▸ PLK4 O00444 1/20 0.45
▸ CCNT1 O60563 1/20 0.45

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
SCHEMBL2537277 0.88 CAMK2D (0.56) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2544927 0.85 JAK2 (0.56) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2539843 0.78 ACVR1 (0.55) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2542794 0.78 CAMK2D (0.56) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2547226 0.78 FLT3 (0.67) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2546325 0.77 CAMK2D (0.53) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2542950 0.76 ACVR1 (0.61) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2547232 0.76 JAK2 (0.52) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2227986 0.76 CCNT1 (0.54) CAMK2DJAK2CDK2ACVR1CCNE1
SCHEMBL2543915 0.76 ACVR1 (0.53) CAMK2DCDK2ACVR1CCNE1FLT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US claimed

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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 CAMK2D 239/4885JAK2 178/4885CDK2 89/4885

“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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