SCHEMBL2546356

SCHEMBL2546356

CCCn1cc(-c2ccnc(Nc3cccc(N4CCNCC4)c3)n2)c2ccncc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.53
FLT3 P36888 3/20 0.53
CCNE1 P24864 2/20 0.53
CAMK2D Q13557 1/20 0.51
CCNA2 P20248 5/20 0.51
CCNT1 O60563 4/20 0.51
CDK9 P50750 4/20 0.51
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51
CDK7 P50613 3/20 0.51
CCNH P51946 3/20 0.51
MNAT1 P51948 1/20 0.51
ACVR1 Q04771 6/20 0.50
CCNA1 P78396 3/20 0.49
DYRK3 O43781 1/20 0.48
IGF1R P08069 1/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
CDK5 Q00535 1/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL2543915 0.93 ACVR1 (0.53) CDK2FLT3CCNE1CAMK2DCCNA2
SCHEMBL2546577 0.91 ACVR1 (0.57) CDK2FLT3CCNE1CCNA2CCNT1
SCHEMBL2540221 0.86 CDK2 (0.67) CDK2FLT3CCNE1CAMK2DCCNA2
SCHEMBL2542426 0.85 SYK (0.46) CDK2FLT3CCNE1CCNA2CCNT1
SCHEMBL2543938 0.84 ACVR1 (0.61) CDK2FLT3CCNE1CCNA2CCNT1
SCHEMBL2544927 0.83 JAK2 (0.56) CDK2FLT3CCNE1CAMK2DCDK1
SCHEMBL2545770 0.82 CAMK2D (0.51) CDK2FLT3CCNE1CAMK2DCCNA2
SCHEMBL2541347 0.81 ACVR1 (0.57) CDK2FLT3CCNE1CAMK2DCCNT1
SCHEMBL2542794 0.81 CAMK2D (0.56) CDK2FLT3CCNE1CAMK2DCCNA2
SCHEMBL2546231 0.80 MKNK1 (0.48) CDK2FLT3CCNA2CDK1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 US claimed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US claimed
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 US 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 (2 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 CDK2 89/4885FLT3 388/4885CCNE1 1003/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 CDK2 420/4885FLT3 1182/4885CCNE1 3574/4885

“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.