SCHEMBL3665689

SCHEMBL3665689

Cc1cccc(-c2nc(-c3cncc(N4CCN(C)CC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.44
TGFBR1 P36897 3/20 0.43
TGFBR2 P37173 2/20 0.43
PTK2 Q05397 2/20 0.41
VCP P55072 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
RPS6KA3 P51812 4/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
RPS6KB1 P23443 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL4161342 0.92 TTK (0.46) TTKTGFBR1TGFBR2PTK2RPS6KA3
SCHEMBL4159474 0.91 TGFBR1 (0.43) TTKTGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3727531 0.90 LRRK2 (0.47) TTKTGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4157887 0.89 TGFBR1 (0.41) TTKTGFBR1TGFBR2PTK2VCP
SCHEMBL4167173 0.89 TGFBR1 (0.42) TGFBR1TGFBR2VCPCYP3A4CYP2C8
SCHEMBL4163575 0.85 TGFBR1 (0.42) TTKTGFBR1TGFBR2PTK2CYP3A4
SCHEMBL4149228 0.85 CYP3A4 (0.46) TTKTGFBR1PTK2VCPCYP3A4
SCHEMBL4150736 0.83 TGFBR1 (0.42) TTKTGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4153850 0.82 TGFBR1 (0.40) TTKTGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4158945 0.82 MAP3K11 (0.47) TGFBR1TGFBR2CYP3A4FLT3

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 10 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
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 TTK 3634/4885TGFBR1 128/4885TGFBR2 443/4885

“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.