SCHEMBL12102753

SCHEMBL12102753

Cc1cc(Nc2cc(N3CCN(C(C)(C)C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.65
AURKB Q96GD4 11/20 0.65
PLK4 O00444 3/20 0.65
AURKC Q9UQB9 2/20 0.65
ABL1 P00519 2/20 0.65
BCR P11274 2/20 0.65
RIPK1 Q13546 2/20 0.65
BMPR1B O00238 1/20 0.65
STK25 O00506 1/20 0.65
RIOK3 O14730 1/20 0.65
CHEK1 O14757 1/20 0.65
GAK O14976 1/20 0.65
MUSK O15146 1/20 0.65
EPHB6 O15197 1/20 0.65
PDPK1 O15530 1/20 0.65
MAP3K13 O43283 1/20 0.65
DAPK3 O43293 1/20 0.65
MAP3K7 O43318 1/20 0.65
NUAK1 O60285 1/20 0.65
JAK2 O60674 1/20 0.65

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
SCHEMBL12102822 0.97 AURKB (0.61) AURKAAURKBPLK4AURKCABL1
Tozasertib SCHEMBL614528 0.91 AURKB (0.78) AURKAAURKBPLK4AURKCABL1
SCHEMBL12338737 0.90 AURKA (0.67) AURKAAURKBPLK4AURKCABL1
SCHEMBL12338745 0.90 AURKA (0.67) AURKAAURKBPLK4AURKCABL1
SCHEMBL12102820 0.90 AURKB (0.79) AURKAAURKBPLK4AURKCABL1
SCHEMBL12694190 0.90 AURKA (0.66) AURKAAURKBPLK4AURKCABL1
SCHEMBL12338932 0.89 AURKB (0.65) AURKAAURKBPLK4AURKCABL1
SCHEMBL12338907 0.88 AURKB (0.62) AURKAAURKBPLK4AURKCABL1
SCHEMBL18656590 0.88 AURKB (0.84) AURKAAURKBPLK4AURKCABL1
SCHEMBL12694189 0.88 AURKA (0.63) AURKAAURKBPLK4AURKCABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269732-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-03 US disclosed
US-20110269732-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-03 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-20110269732-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA AURKA 3/4885AURKB 1/4885PLK4 17/4885

“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.