SCHEMBL4168752

SCHEMBL4168752

Cc1cccc(-c2cc(-c3ccc(C(C)(C)NCCO)cc3)c3cc[nH]c3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
NEK1 Q96PY6 2/20 0.35
TGFBR2 P37173 2/20 0.35
MAPK14 Q16539 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
JAK1 P23458 7/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKCA P17252 1/20 0.32
PRKACA P17612 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
JAK3 P52333 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
ROCK1 Q13464 1/20 0.32
FEN1 P39748 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
SCHEMBL4150426 0.93 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8NEK1TGFBR2
SCHEMBL3803691 0.77 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8NEK1TGFBR2
SCHEMBL4155519 0.76 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8NEK1TGFBR2
SCHEMBL4167174 0.75 CYP3A4 (0.43) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4171887 0.75 TGFBR1 (0.51) TGFBR1CYP3A4CYP2C8TGFBR2MAPK14
SCHEMBL4150483 0.75 TGFBR1 (0.49) TGFBR1CYP3A4CYP2C8TGFBR2CCR1
SCHEMBL3808160 0.74 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8TGFBR2JAK1
SCHEMBL4157242 0.74 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8TGFBR2MAPK14
SCHEMBL4168756 0.74 TGFBR1 (0.58) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL3664985 0.73 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed

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.