SCHEMBL4162033

SCHEMBL4162033

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
EGFR P00533 2/20 0.38
FLT1 P17948 2/20 0.38
JAK1 P23458 5/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
HPGDS O60760 2/20 0.34
SLC2A1 P11166 1/20 0.34
TGFBR2 P37173 1/20 0.33
NEK1 Q96PY6 1/20 0.33
CHEK1 O14757 1/20 0.33
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL4155519 0.93 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8EGFRFLT1
SCHEMBL4157078 0.92 CYP3A4 (0.41) TGFBR1CYP3A4CYP2C8JAK1PDCD1
SCHEMBL4155020 0.89 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4155882 0.88 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8JAK1CD274
SCHEMBL3664985 0.87 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8EGFRJAK1
SCHEMBL4153816 0.86 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8EGFRJAK1
SCHEMBL27808359 0.86 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4163539 0.85 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8EGFRFLT1
SCHEMBL3803691 0.85 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4158344 0.84 TGFBR1 (0.48) 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 6 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
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.