SCHEMBL1635586

SCHEMBL1635586

COc1ccc2cnc(Nc3ccc(F)c(C)c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.51
AURKA O14965 3/20 0.51
EIF2AK4 Q9P2K8 1/20 0.44
APP P05067 1/20 0.44
MAPK14 Q16539 2/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 2/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
STAT5A P42229 1/20 0.43
ACVR1 Q04771 1/20 0.43
PKMYT1 Q99640 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK9 P45984 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 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
SCHEMBL1634147 0.82 AURKA (0.48) SYKAURKAABL1EGFRPDGFRB
Hydrochloric Acid SCHEMBL28182076 0.78 PDGFRB (0.58) SYKEGFRPDGFRBPDGFRANPC1
SCHEMBL1634487 0.78 HRH3 (0.43) SYKMAP4K1CDK4CCND1
SCHEMBL31590306 0.76 PIK3CA (0.46) EGFRSRCALDH1A1TSHR
SCHEMBL1633099 0.75 IKBKB (0.65) EGFRSMN1; SMN2CDK4CCND1CCND2
SCHEMBL6086665 0.74 CDK4 (0.67) ABL1EGFRPDGFRBFGFR1SRC
SCHEMBL6768234 0.73 IKBKB (0.49) PDGFRBPDGFRANPC1RAB9ASMN1; SMN2
SCHEMBL1633112 0.72 BRD4 (0.56) SYKAURKAABL1EGFRFGFR1
SCHEMBL6364173 0.71 CSF1R (0.44) SYKEGFRPDGFRBFGFR1SRC
SCHEMBL6089093 0.71 CDK4 (0.69) SYKCDK4CCND1

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 11 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
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 SYK 4204/4885AURKA 576/4885EIF2AK4 429/4885

“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.