SCHEMBL4154301

SCHEMBL4154301

Cc1cccc(-c2nc(-c3cncc(C(=O)NCCCN(C)C)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.47
KDR P35968 2/20 0.43
HTT P42858 1/20 0.41
TGFBR1 P36897 2/20 0.41
TGFBR2 P37173 2/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HPGDS O60760 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
MITF O75030 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL4161445 0.95 KDR (0.48) FYNKDRTGFBR1TGFBR2KLKB1
SCHEMBL3722416 0.92 KDR (0.46) FYNKDRTGFBR1TGFBR2KLKB1
SCHEMBL3730619 0.87 TGFBR1 (0.47) KDRTGFBR1TGFBR2KLKB1KLK1
SCHEMBL4161414 0.85 TGFBR1 (0.47) TGFBR1TGFBR2RAD52
SCHEMBL4151076 0.84 HPGDS (0.59) TGFBR1TGFBR2HPGDSMAPK8
SCHEMBL3723829 0.82 TGFBR1 (0.48) TGFBR1TGFBR2KLKB1KLK1
SCHEMBL3800944 0.81 HPGDS (0.59) TGFBR1TGFBR2HPGDS
SCHEMBL3722355 0.78 TGFBR1 (0.46) TGFBR1TGFBR2HPGDS
SCHEMBL3668426 0.78 TGFBR1 (0.48) TGFBR1TGFBR2
SCHEMBL3723221 0.77 TGFBR1 (0.50) TGFBR1TGFBR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
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
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 FYN 349/4885KDR 124/4885HTT 1495/4885

“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.