SCHEMBL4156662

SCHEMBL4156662

Cc1cccc(-c2cc(-c3cncc(-c4cccc(CN5CCOCC5)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 4/20 0.48
PRKCD Q05655 4/20 0.48
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
TGFBR1 P36897 1/20 0.41
LRRK2 Q5S007 2/20 0.41
CNR2 P34972 5/20 0.40
KIT P10721 1/20 0.40
PSMB8 P28062 1/20 0.39
CNR1 P21554 2/20 0.38
ACVR1 Q04771 1/20 0.38
TNIK Q9UKE5 1/20 0.38
CHEK1 O14757 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
SCHEMBL3796221 0.92 PRKCQ (0.43) PRKCQPRKCDCYP3A4CYP2C8TGFBR1
SCHEMBL4155580 0.91 PRKCQ (0.47) PRKCQPRKCDCYP3A4CYP2C8TGFBR1
SCHEMBL4153822 0.87 PIK3CA (0.46) PRKCQPRKCDPIK3CDPIK3CAMTOR
SCHEMBL4155004 0.83 CDK8 (0.49) PIK3CAMTORCYP3A4CYP2C8TGFBR1
SCHEMBL4158256 0.83 CDK8 (0.49) CYP3A4CYP2C8TGFBR1
SCHEMBL3804408 0.82 TGFBR1 (0.46) CYP3A4CYP2C8TGFBR1
SCHEMBL4158665 0.81 TGFBR1 (0.41) PRKCQPRKCDPIK3CAMTORCYP3A4
SCHEMBL4159244 0.81 TGFBR1 (0.45) PRKCQPRKCDCYP3A4CYP2C8TGFBR1
SCHEMBL4156276 0.81 MAP3K11 (0.42) PRKCQPRKCDPIK3CDPIK3CACYP3A4
SCHEMBL3797278 0.80 TGFBR1 (0.44) CYP3A4CYP2C8TGFBR1

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 PRKCQ 1524/4885PRKCD 1715/4885PIK3CD 389/4885

“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.