SCHEMBL12671430

SCHEMBL12671430

Cn1cc(-c2cc(O)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.46
▸ MAP4K3 Q8IVH8 1/20 0.46
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ JUN P05412 2/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ DDR2 Q16832 2/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ TTK P33981 3/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK19 Q9BWU1 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ CCNT1 O60563 2/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ CCNE2 O96020 2/20 0.37
▸ CDK1 P06493 2/20 0.37

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
SCHEMBL13362827 0.88 MAP4K1 (0.46) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL1571320 0.87 MAP4K1 (0.44) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL13362991 0.86 MAP4K1 (0.45) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL13251937 0.85 ALK (0.49) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL13336170 0.84 MAP4K1 (0.42) MAP4K1MAP4K3JAK1TYK2JAK3
SCHEMBL13225919 0.84 MAP4K1 (0.42) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL13573968 0.83 MAP4K1 (0.43) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL13336039 0.83 MAP4K1 (0.43) MAP4K1MAP4K3JUNMAPK8MAPK10
SCHEMBL13225918 0.83 MET (0.46) MAP4K1MAP4K3JAK3JUNMAPK8
SCHEMBL13225914 0.82 MAP4K1 (0.42) MAP4K1MAP4K3JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — 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 (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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAP4K1 49/4885MAP4K3 43/4885JAK1 2240/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885MAP4K3 103/4885JAK1 1597/4885

“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.

Send feedback