Sugi Predict

Sugi Predict / Compounds / SCHEMBL10013587

SCHEMBL10013587

SCHEMBL10013587

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)[C@H](CO)c3ccccc3)C4)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 18/20 0.81
▸ AURKB Q96GD4 8/20 0.81
▸ ALK Q9UM73 2/20 0.81
▸ ABL1 P00519 4/20 0.78
▸ NTRK1 P04629 3/20 0.78
▸ RET P07949 3/20 0.78
▸ FGFR1 P11362 3/20 0.78
▸ LIMK1 P53667 3/20 0.78
▸ BCR P11274 3/20 0.78
▸ CDK2 P24941 3/20 0.78
▸ PLK4 O00444 2/20 0.78
▸ JAK2 O60674 2/20 0.78
▸ MAP4K4 O95819 2/20 0.78
▸ LCK P06239 2/20 0.78
▸ FYN P06241 2/20 0.78
▸ FES P07332 2/20 0.78
▸ LYN P07948 2/20 0.78
▸ SRC P12931 2/20 0.78
▸ PHKG2 P15735 2/20 0.78
▸ FER P16591 2/20 0.78

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
SCHEMBL2924598 0.90 AURKA (1.00) AURKAAURKBALKABL1NTRK1
SCHEMBL2919718 0.90 AURKA (1.00) AURKAAURKBALKABL1NTRK1
SCHEMBL2925283 0.89 AURKA (1.00) AURKAAURKBALKABL1NTRK1
Danusertib SCHEMBL2685432 0.87 AURKA (1.00) AURKAAURKBALKABL1NTRK1
Danusertib SCHEMBL466509 0.87 AURKA (1.00) AURKAAURKBALKABL1NTRK1
Danusertib SCHEMBL29453494 0.87 AURKA (0.98) AURKAAURKBALKABL1NTRK1
SCHEMBL2918897 0.83 AURKA (1.00) AURKAAURKBALKABL1NTRK1
SCHEMBL2923943 0.83 AURKA (0.84) AURKAAURKBALKABL1NTRK1
SCHEMBL2926784 0.82 AURKA (0.85) AURKAAURKBALKABL1NTRK1
SCHEMBL2926514 0.82 AURKA (0.85) AURKAAURKBALKABL1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210771-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS IRM LLC (BM) 2013-08-15 — — US disclosed
US-20120165355-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS WARMUTH MARKUS (US) 2012-06-28 — — US disclosed
US-20120165355-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS WARMUTH MARKUS (US) 2012-06-28 — — US disclosed
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2011-01-27 — — US disclosed
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2011-01-27 — — US disclosed
US-20100216828-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS IRM LLC (BM) 2010-08-26 — — 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 (4 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-20130210771-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS ABL1, KIT, SRC AURKA 681/4885AURKB 379/4885ALK 41/4885
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS ABL1, BCR, MCL1 AURKA 282/4885AURKB 220/4885ALK 38/4885
US-20120165355-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS ABL1, KIT, SRC AURKA 681/4885AURKB 379/4885ALK 41/4885
US-20100216828-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS ABL1, KIT, SRC AURKA 681/4885AURKB 379/4885ALK 41/4885

“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.