SCHEMBL4155037

SCHEMBL4155037

Cc1cccc(-c2cc(-c3cncc(-c4ccc(C(C)(C)N5CCOCC5)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
JAK1 P23458 4/20 0.36
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 3/20 0.34
ZAP70 P43403 1/20 0.33
TGFBR2 P37173 1/20 0.33
LRRK2 Q5S007 2/20 0.32
PIK3CD O00329 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
JAK2 O60674 2/20 0.32
MAP4K4 O95819 2/20 0.32
KDR P35968 2/20 0.32
MAP4K2 Q12851 2/20 0.32
ROCK1 Q13464 2/20 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
SCHEMBL3796221 0.84 PRKCQ (0.43) TGFBR1CYP3A4CYP2C8JAK1LRRK2
SCHEMBL4150483 0.83 TGFBR1 (0.49) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4158671 0.81 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4156662 0.80 PRKCQ (0.48) TGFBR1CYP3A4CYP2C8PIK3CAMTOR
SCHEMBL4150426 0.78 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL3803436 0.77 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4158344 0.77 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3803691 0.77 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A
SCHEMBL4156754 0.77 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3805478 0.77 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8JAK1PIP4K2A

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-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
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 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 (2 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 TGFBR1 993/4885CYP3A4 1146/4885CYP2C8 1062/4885
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.