SCHEMBL12102747

SCHEMBL12102747

Cc1cc(Nc2cc(C)[nH]n2)nc(Sc2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.68
AURKB Q96GD4 14/20 0.68
NTRK1 P04629 1/20 0.65
GSK3B P49841 10/20 0.65
SRC P12931 7/20 0.65
AURKC Q9UQB9 1/20 0.50
ITK Q08881 1/20 0.48

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
SCHEMBL12102875 0.87 AURKA (0.65) AURKAAURKBNTRK1GSK3BSRC
SCHEMBL15722709 0.80 AURKA (0.56) AURKAAURKBNTRK1GSK3BSRC
SCHEMBL21000823 0.80 AURKA (1.00) AURKAAURKBNTRK1GSK3BSRC
SCHEMBL12430446 0.79 AURKA (1.00) AURKAAURKBGSK3BSRCAURKC
SCHEMBL12430804 0.77 AURKA (0.70) AURKAAURKBNTRK1GSK3BSRC
SCHEMBL19990474 0.77 AURKA (0.76) AURKAAURKBNTRK1GSK3BSRC
SCHEMBL3967338 0.77 AURKA (0.59) AURKAAURKBNTRK1GSK3BSRC
SCHEMBL802286 0.77 ITK (0.69) AURKAAURKBGSK3BSRCITK
SCHEMBL30353191 0.76 AURKA (0.67) AURKAAURKBNTRK1GSK3BSRC
SCHEMBL22767705 0.76 AURKA (0.67) AURKAAURKBNTRK1GSK3BSRC

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-20140141099-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED 2014-05-22 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 (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-20140141099-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA AURKA 3/4885AURKB 1/4885NTRK1 1571/4885
US-20110269732-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA AURKA 3/4885AURKB 1/4885NTRK1 1571/4885

“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.