SCHEMBL2542799

SCHEMBL2542799

CCCn1cc(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)c2nc(Cl)cc(C)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.55
▸ CDK2 P24941 5/20 0.52
▸ ALK Q9UM73 5/20 0.52
▸ AURKA O14965 4/20 0.52
▸ CDK7 P50613 4/20 0.52
▸ CDK9 P50750 4/20 0.52
▸ AURKB Q96GD4 4/20 0.52
▸ CDK1 P06493 4/20 0.52
▸ CDK4 P11802 3/20 0.52
▸ JAK2 O60674 3/20 0.52
▸ WEE1 P30291 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ CCNB1 P14635 2/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ ABL1 P00519 1/20 0.52

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
SCHEMBL2539863 0.92 FLT3 (0.55) FLT3CDK2ALKAURKACDK7
SCHEMBL2537269 0.90 FLT3 (0.59) FLT3CDK2ALKAURKACDK7
SCHEMBL2547332 0.88 JAK2 (0.53) FLT3CDK2AURKACDK9AURKB
SCHEMBL2539545 0.88 ACVR1 (0.49) FLT3CDK2ALKAURKACDK7
SCHEMBL2540505 0.84 BTK (0.49) CDK2CDK7CDK9CDK1JAK2
SCHEMBL2541901 0.84 PLK1 (0.43) CDK2AURKACDK7CDK9AURKB
SCHEMBL2541361 0.82 FLT3 (0.58) FLT3CDK2ALKAURKACDK7
SCHEMBL2546325 0.81 CAMK2D (0.53) FLT3CDK2CDK7CDK1JAK2
SCHEMBL2538339 0.80 CCNT1 (0.49) CDK2CDK7CDK9CDK1CDK4
SCHEMBL15086017 0.80 CCNT1 (0.43) CDK2CDK9CDK1CDK4CCNB1

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-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US claimed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US claimed
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 FLT3 388/4885CDK2 89/4885ALK 553/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 FLT3 1182/4885CDK2 420/4885ALK 1042/4885

“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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