SCHEMBL4149228

SCHEMBL4149228

Cc1cccc(-c2cc(-c3cncc(N4CCN(C)CC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
TGFBR1 P36897 1/20 0.46
TTK P33981 3/20 0.41
RPS6KA3 P51812 7/20 0.40
MAP4K1 Q92918 1/20 0.40
VCP P55072 1/20 0.39
RPS6KB1 P23443 1/20 0.38
FLT3 P36888 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
PTK2 Q05397 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38

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
SCHEMBL3665689 0.85 TTK (0.44) CYP3A4CYP2C8TGFBR1TTKRPS6KA3
SCHEMBL4158028 0.81 TGFBR1 (0.41) CYP3A4CYP2C8TGFBR1FLT3JAK2
SCHEMBL4155580 0.81 PRKCQ (0.47) CYP3A4CYP2C8TGFBR1FLT3
SCHEMBL4165292 0.80 TGFBR1 (0.47) CYP3A4CYP2C8TGFBR1TTKCLK1
SCHEMBL4153898 0.79 TGFBR1 (0.53) CYP3A4CYP2C8TGFBR1
SCHEMBL4151363 0.79 TGFBR1 (0.53) CYP3A4CYP2C8TGFBR1IRAK4
SCHEMBL3794751 0.78 TGFBR1 (0.52) CYP3A4CYP2C8TGFBR1
SCHEMBL3802774 0.77 CYP3A4 (0.51) CYP3A4CYP2C8TGFBR1CLK1DYRK1A
SCHEMBL4161342 0.77 TTK (0.46) TGFBR1TTKRPS6KA3MAP4K1RPS6KB1
SCHEMBL4168756 0.77 TGFBR1 (0.58) CYP3A4CYP2C8TGFBR1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN 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 CYP3A4 111/4885CYP2C8 1297/4885TGFBR1 128/4885

“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.