SCHEMBL3486749

SCHEMBL3486749

CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)C(OC)c3ccccc3)C4)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.85
AURKB Q96GD4 8/20 0.85
CDK2 P24941 7/20 0.85
ABL1 P00519 4/20 0.85
FGFR1 P11362 4/20 0.85
NTRK1 P04629 3/20 0.85
RET P07949 3/20 0.85
LIMK1 P53667 3/20 0.85
BCR P11274 3/20 0.85
PLK4 O00444 2/20 0.85
JAK2 O60674 2/20 0.85
MAP4K4 O95819 2/20 0.85
LCK P06239 2/20 0.85
FYN P06241 2/20 0.85
FES P07332 2/20 0.85
LYN P07948 2/20 0.85
SRC P12931 2/20 0.85
PHKG2 P15735 2/20 0.85
FER P16591 2/20 0.85
MARK3 P27448 2/20 0.85

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
SCHEMBL1377947 1.00 AURKA (0.85) AURKAAURKBCDK2ABL1FGFR1
Danusertib SCHEMBL466509 0.92 AURKA (1.00) AURKAAURKBCDK2ABL1FGFR1
Danusertib SCHEMBL2685432 0.92 AURKA (1.00) AURKAAURKBCDK2ABL1FGFR1
Danusertib SCHEMBL29453494 0.91 AURKA (0.98) AURKAAURKBCDK2ABL1FGFR1
SCHEMBL25277403 0.91 AURKA (0.86) AURKAAURKBCDK2ABL1FGFR1
SCHEMBL1377925 0.91 AURKA (0.86) AURKAAURKBCDK2ABL1FGFR1
SCHEMBL9998664 0.91 AURKA (0.86) AURKAAURKBCDK2ABL1FGFR1
SCHEMBL26184014 0.91 AURKA (0.86) AURKAAURKBCDK2ABL1FGFR1
SCHEMBL18484432 0.91 AURKA (0.83) AURKAAURKBCDK2ABL1FGFR1
SCHEMBL2922037 0.90 AURKA (0.85) AURKAAURKBCDK2ABL1FGFR1

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-8084455-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-27 US claimed
US-8084455-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-27 US disclosed
US-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-02-11 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-20100035876-A1 Use of a Kinase Inhibitor for the Treatment of Particular Resistant Tumors ABL1, LTK, ABL2 AURKA 281/4885AURKB 316/4885CDK2 454/4885

“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.