SCHEMBL12102876

SCHEMBL12102876

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ GSK3B P49841 9/20 0.47
▸ PIK3C3 Q8NEB9 2/20 0.47
▸ AURKA O14965 13/20 0.47
▸ AURKB Q96GD4 8/20 0.47
▸ PAK4 O96013 2/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ RET P07949 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FLT1 P17948 1/20 0.47

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) MEN1KMT2AGSK3BPIK3C3AURKA
SCHEMBL12105469 0.82 AURKA (0.46) MEN1KMT2AGSK3BAURKAAURKB
SCHEMBL12105473 0.82 AURKA (0.43) MEN1KMT2AGSK3BAURKAAURKB
SCHEMBL16065335 0.82 KMT2A (0.49) MEN1KMT2AGAASMN1; SMN2GSK3B
SCHEMBL220647 0.81 PAK4 (0.57) MEN1KMT2AGSK3BPIK3C3AURKA
SCHEMBL12102875 0.81 AURKA (0.65) GSK3BAURKAAURKBPAK4DAPK3
SCHEMBL15704900 0.80 IGF1R (0.52) MEN1KMT2AGAASMN1; SMN2PIK3C3
SCHEMBL61333 0.79 KMT2A (0.53) MEN1KMT2AGAASMN1; SMN2AURKA
SCHEMBL12105461 0.79 AURKA (0.52) MEN1KMT2AGSK3BPIK3C3AURKA
SCHEMBL12102888 0.77 GSK3B (0.50) MEN1KMT2AGSK3BPIK3C3AURKA

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
WO-2008131103-A2 DRUG DISCOVERY METHODS FOR AURORA KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-30 — — WO 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 MEN1 1110/4885KMT2A 687/4885GAA 3634/4885

“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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