SCHEMBL18471611

SCHEMBL18471611

CO[C@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(CN4CCN(CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(O)NCCCOCCOCCOCCCNC(=O)CCN5CCN(Cc6ccc(C(=O)Nc7n[nH]c8c7CN(C(=O)[C@H](OC)c7ccccc7)C8)cc6)CC5)CC4)cc3)c2C1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 16/20 0.54
▸ CDK2 P24941 9/20 0.54
▸ AURKB Q96GD4 8/20 0.54
▸ CDK7 P50613 4/20 0.54
▸ ABL1 P00519 3/20 0.54
▸ NTRK1 P04629 3/20 0.54
▸ RET P07949 3/20 0.54
▸ FGFR1 P11362 3/20 0.54
▸ LIMK1 P53667 3/20 0.54
▸ BCR P11274 2/20 0.54
▸ PLK4 O00444 2/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ MAP4K4 O95819 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ FES P07332 2/20 0.54
▸ LYN P07948 2/20 0.54
▸ SRC P12931 2/20 0.54
▸ PHKG2 P15735 2/20 0.54
▸ FER P16591 2/20 0.54

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
SCHEMBL18485250 0.97 AURKA (0.51) AURKACDK2AURKBCDK7ABL1
SCHEMBL18471602 0.94 AURKA (0.59) AURKACDK2AURKBCDK7ABL1
SCHEMBL21372407 0.82 AURKA (0.68) AURKACDK2AURKBCDK7ABL1
SCHEMBL21372312 0.82 AURKA (0.68) AURKACDK2AURKBCDK7ABL1
SCHEMBL21372408 0.79 AURKA (0.67) AURKACDK2AURKBCDK7ABL1
SCHEMBL21372311 0.79 AURKA (0.67) AURKACDK2AURKBCDK7ABL1
SCHEMBL18484432 0.74 AURKA (0.83) AURKACDK2AURKBCDK7ABL1
SCHEMBL29188480 0.74 AURKA (0.79) AURKACDK2AURKBCDK7ABL1
SCHEMBL29188478 0.74 AURKA (0.79) AURKACDK2AURKBCDK7ABL1
SCHEMBL25649544 0.73 AURKA (0.77) AURKACDK2AURKBCDK7ABL1

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-9969753-B2 BCR-ABL diploid inhibitor, synthesizing method therefor, and uses thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2018-05-15 — — US disclosed
US-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 — — US disclosed
US-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 — — 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 (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-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof BCR, ABL1, BOD1L1 AURKA 496/4885CDK2 112/4885AURKB 282/4885

“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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