SCHEMBL4155020

SCHEMBL4155020

Cc1cccc(-c2cc(-c3cncc(-c4ccc(CN(C)C)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
PRKCQ Q04759 4/20 0.38
PRKCD Q05655 4/20 0.38
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
TGFBR2 P37173 1/20 0.36
HPGDS O60760 2/20 0.35
JAK1 P23458 1/20 0.35
PARP1 P09874 2/20 0.35
TNKS O95271 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ACP1 P24666 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
LYN P07948 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL4154586 0.93 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4159244 0.91 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4160319 0.90 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4162033 0.89 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4158344 0.89 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3664985 0.88 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4155882 0.88 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4150489 0.87 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4153816 0.86 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL27808359 0.85 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B

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 TGFBR1 128/4885CYP3A4 111/4885CYP2C8 1297/4885

“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.