SCHEMBL12105469

SCHEMBL12105469

CSc1nc(N)cc(Nc2cc(C)[nH]n2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 14/20 0.46
▸ AURKB Q96GD4 10/20 0.46
▸ NTRK1 P04629 3/20 0.44
▸ SRC P12931 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ ITK Q08881 1/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL15722709 0.85 AURKA (0.56) AURKAAURKBNTRK1SRCGSK3B
SCHEMBL12105473 0.82 AURKA (0.43) AURKAAURKBNTRK1SRCGSK3B
SCHEMBL12102876 0.82 MEN1 (0.52) AURKAAURKBNTRK1SRCGSK3B
SCHEMBL12105481 0.79 ITK (0.42) AURKAAURKBNTRK1SRCGSK3B
SCHEMBL12430805 0.74 AURKA (0.73) AURKAAURKBNTRK1SRCGSK3B
SCHEMBL9413801 0.72 MEN1 (0.41) MEN1KMT2A
SCHEMBL13675323 0.70 AURKA (0.64) AURKAAURKBNTRK1SRCGSK3B
SCHEMBL30353136 0.70 JAK2 (0.51) AURKAAURKBSRCGSK3BMEN1
SCHEMBL12102747 0.70 AURKA (0.68) AURKAAURKBNTRK1SRCGSK3B
SCHEMBL28921761 0.69 ITK (0.43) AURKAAURKBNTRK1SRCGSK3B

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 1 patent. 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

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 1/4885NTRK1 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.

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