SCHEMBL4153822

SCHEMBL4153822

Cc1cccc(-c2nc(-c3cncc(-c4cccc(CN5CCOCC5)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.46
MTOR P42345 2/20 0.46
PRKCQ Q04759 2/20 0.45
PRKCD Q05655 2/20 0.45
KIT P10721 1/20 0.39
CNR2 P34972 5/20 0.39
PIK3CD O00329 2/20 0.39
TGFBR1 P36897 2/20 0.39
TGFBR2 P37173 1/20 0.39
LRRK2 Q5S007 1/20 0.38
PSMB8 P28062 1/20 0.38
ACVR1 Q04771 1/20 0.37
CNR1 P21554 1/20 0.37
CHEK1 O14757 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL4168547 0.93 PRMT6 (0.41) PIK3CAMTORPRKCQPRKCDPIK3CD
SCHEMBL3729277 0.91 PRKCQ (0.44) PIK3CAMTORPRKCQPRKCDKIT
SCHEMBL4163137 0.89 TGFBR1 (0.38) PIK3CAMTORPRKCQPRKCDCNR2
SCHEMBL4156662 0.87 PRKCQ (0.48) PIK3CAMTORPRKCQPRKCDKIT
SCHEMBL3727379 0.83 CDK8 (0.47) PIK3CAMTORTGFBR1TGFBR2
SCHEMBL3672347 0.83 CDK8 (0.47) PIK3CAMTORTGFBR1TGFBR2
SCHEMBL4158945 0.83 MAP3K11 (0.47) PRKCQPRKCDTGFBR1TGFBR2LRRK2
SCHEMBL4161242 0.83 NOS3 (0.46) PIK3CAMTORTGFBR1TGFBR2
SCHEMBL4158616 0.82 TGFBR1 (0.42) PIK3CAMTORPRKCQPRKCDTGFBR1
SCHEMBL3727531 0.82 LRRK2 (0.47) PIK3CAMTORPIK3CDTGFBR1TGFBR2

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 PIK3CA 89/4885MTOR 2126/4885PRKCQ 1524/4885

“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.