SCHEMBL1571328

SCHEMBL1571328

COc1cc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.53
NTRK1 P04629 2/20 0.53
CSF1R P07333 2/20 0.53
TYK2 P29597 2/20 0.53
NUAK1 O60285 2/20 0.53
STK16 O75716 1/20 0.53
CSNK2A2 P19784 1/20 0.53
AAK1 Q2M2I8 1/20 0.53
ULK3 Q6PHR2 1/20 0.53
BMP2K Q9NSY1 1/20 0.53
MARK3 P27448 2/20 0.53
MARK4 Q96L34 2/20 0.53
STK17A Q9UEE5 2/20 0.53
KDR P35968 2/20 0.52
CDK1 P06493 1/20 0.52
HTT P42858 1/20 0.51
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
ACP1 P24666 1/20 0.48
PLK4 O00444 1/20 0.48

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
SCHEMBL1571770 0.87 MARK3 (0.51) TBK1NTRK1CSF1RTYK2NUAK1
SCHEMBL1571728 0.86 TBK1 (0.58) TBK1NTRK1CSF1RTYK2NUAK1
SCHEMBL29370869 0.80 CDK1 (0.63) TBK1NTRK1CSF1RTYK2NUAK1
SCHEMBL13574088 0.80 CDK1 (0.51) TBK1NTRK1CSF1RTYK2NUAK1
SCHEMBL1634550 0.80 CDK1 (0.59) CDK1JAK2JAK3RIPK2LRRK2
SCHEMBL13901171 0.80 TBK1 (0.66) TBK1NTRK1CSF1RTYK2NUAK1
SCHEMBL1049234 0.78 P2RX3 (0.54) KDREGFR
SCHEMBL13336182 0.77 ACVR1 (0.50) TBK1NTRK1CSF1RTYK2NUAK1
SCHEMBL1571603 0.76 CDK1 (0.51) TBK1NTRK1CSF1RTYK2NUAK1
SCHEMBL13336327 0.76 CDK1 (0.51) TBK1NTRK1CSF1RTYK2NUAK1

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 14 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
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP 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-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
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 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-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 EP disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 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 TBK1 493/4885NTRK1 2015/4885CSF1R 1514/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 TBK1 792/4885NTRK1 2584/4885CSF1R 1633/4885

“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.