SCHEMBL3799018

SCHEMBL3799018

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
EGFR P00533 2/20 0.36
FLT1 P17948 2/20 0.36
CD274 Q9NZQ7 5/20 0.36
PDCD1 Q15116 4/20 0.36
PIP4K2A P48426 1/20 0.35
PIP4K2B P78356 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
AKT1 P31749 3/20 0.34
AKT2 P31751 3/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
JAK1 P23458 4/20 0.34
KDR P35968 1/20 0.33
TGFBR2 P37173 1/20 0.33
VSIR Q9H7M9 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
SCHEMBL4167174 0.95 CYP3A4 (0.43) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL28787422 0.89 CYP3A4 (0.39) TGFBR1CYP3A4CYP2C8CD274PIP4K2A
SCHEMBL4158546 0.89 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8CD274PDCD1
SCHEMBL3664985 0.87 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8EGFRPIP4K2A
SCHEMBL3664849 0.87 CYP3A4 (0.43) TGFBR1CYP3A4CYP2C8CD274PDCD1
SCHEMBL4150489 0.86 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3661771 0.86 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3793188 0.85 CYP3A4 (0.39) TGFBR1CYP3A4CYP2C8CD274PDCD1
SCHEMBL4158052 0.84 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US 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 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.