SCHEMBL2542008

SCHEMBL2542008

CCCn1cc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c2ccncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
JAK2 O60674 4/20 0.48
LRRK2 Q5S007 2/20 0.48
PLK4 O00444 2/20 0.47
ACVR1 Q04771 4/20 0.47
FLT3 P36888 2/20 0.47
CDK2 P24941 3/20 0.46
CDK1 P06493 1/20 0.46
EGFR P00533 2/20 0.45
MAPK10 P53779 2/20 0.45
GSK3B P49841 1/20 0.44
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
NCOR1 O75376 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL2545785 0.93 BTK (0.53) BTKJAK2LRRK2PLK4ACVR1
SCHEMBL2544054 0.91 CCNT1 (0.54) BTKJAK2FLT3CDK2CDK1
SCHEMBL2542034 0.91 FLT3 (0.55) BTKJAK2LRRK2ACVR1FLT3
SCHEMBL2546231 0.90 MKNK1 (0.48) ACVR1FLT3CDK2CDK1EGFR
SCHEMBL2541347 0.86 ACVR1 (0.57) JAK2PLK4ACVR1FLT3CDK2
SCHEMBL2546292 0.85 CCNT1 (0.56) BTKJAK2ACVR1FLT3CDK2
SCHEMBL2541867 0.84 FLT3 (0.55) BTKJAK2LRRK2ACVR1FLT3
SCHEMBL27809537 0.83 ACVR1 (0.50) BTKACVR1FLT3CDK2CDK1
SCHEMBL2547228 0.82 BTK (0.51) BTKJAK2LRRK2PLK4ACVR1
SCHEMBL2542426 0.82 SYK (0.46) ACVR1FLT3CDK2CDK1EGFR

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 BTK 240/4885JAK2 178/4885LRRK2 459/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 BTK 226/4885JAK2 184/4885LRRK2 423/4885

“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.