SCHEMBL1632057

SCHEMBL1632057

COc1cccc(Nc2ncc3cccc(-c4ccc(NCCN5CCCC5)nc4)c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.45
MAPK10 P53779 2/20 0.44
JUN P05412 1/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNK O75909 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 3/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
SRC P12931 2/20 0.41
YES1 P07947 1/20 0.41

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
SCHEMBL1631565 0.88 MAPK10 (0.48) MAPK10JUNCCND3FGFR2JAK2
SCHEMBL1634890 0.88 MAPK10 (0.47) MAPK10JUNMEN1KMT2AFGFR2
SCHEMBL1633364 0.87 KDR (0.45) GBA1MAPK10JUNCCNA2CDK2
SCHEMBL1633636 0.86 RIPK2 (0.48) MAPK10JUNSRCFGFR2JAK2
SCHEMBL1634397 0.85 MAPK10 (0.59) MAPK10JUNSRCFGFR2JAK2
SCHEMBL1631425 0.85 MAOB (0.42) MAPK10JUNSRCFGFR2JAK2
SCHEMBL1631314 0.85 CTSC (0.45) MAPK10JUNCYP1A2SRCCYP3A4
SCHEMBL1633357 0.85 MAPK10 (0.47) MAPK10JUNFGFR2JAK2KDR
SCHEMBL1634203 0.84 MAPK10 (0.48) MAPK10JUNFGFR2KDRFGFR1
SCHEMBL1633503 0.84 MAPK10 (0.47) MAPK10JUNMEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 GBA1 3660/4885MAPK10 402/4885JUN 544/4885

“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.