SCHEMBL4159014

SCHEMBL4159014

Cc1cccc(-c2nc(-c3cncc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROS1 P08922 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
MARK3 P27448 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK1G2 P78368 1/20 0.44
MAP4K2 Q12851 1/20 0.44
ROCK1 Q13464 1/20 0.44
NTRK3 Q16288 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
AURKB Q96GD4 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44

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
SCHEMBL3669196 0.93 MAP3K11 (0.46) TGFBR1TGFBR2BRD4LRRK2
SCHEMBL4154441 0.85 CCNC (0.52) TGFBR1TGFBR2
SCHEMBL3729277 0.83 PRKCQ (0.44) KDRFLT3CLK2PIK3CAMTOR
SCHEMBL4155524 0.83 MAP3K11 (0.47) PIK3CDPIK3CAKCNH2MTORATR
SCHEMBL4161342 0.83 TTK (0.46) FLT3TGFBR1TGFBR2
SCHEMBL3665689 0.82 TTK (0.44) FLT3TGFBR1TGFBR2
SCHEMBL3731753 0.81 TGFBR1 (0.46) PLK4MAP4K4ROS1MARK3FLT4
SCHEMBL3729500 0.81 TGFBR1 (0.48) JAK2TGFBR1TGFBR2
SCHEMBL4158945 0.81 MAP3K11 (0.47) FLT1FLT3ROCK1AURKBKCNH2
SCHEMBL4163575 0.80 TGFBR1 (0.42) PIK3CAMTORTGFBR1TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PLK4 143/4885JAK2 9/4885MAP4K4 126/4885

“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.