SCHEMBL4158671

SCHEMBL4158671

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
PIP4K2A P48426 3/20 0.38
PIP4K2B P78356 3/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
TGFBR2 P37173 2/20 0.36
CYP2A6 P11509 1/20 0.32
PIKFYVE Q9Y2I7 1/20 0.32
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
HPGDS O60760 2/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKCA P17252 1/20 0.31
PRKACA P17612 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
JAK3 P52333 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL3803691 0.89 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4150483 0.88 TGFBR1 (0.49) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4155020 0.83 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4150426 0.83 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3803436 0.82 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4158344 0.82 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL3805478 0.82 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4156754 0.82 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4155037 0.81 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8PIP4K2APIP4K2B
SCHEMBL4153879 0.81 TGFBR1 (0.47) 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
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
US-7423172-B2 Tyrosine derivatives as PPAR-γ-modulators LABORATORIOS SALVAT, S.A. (ES) 2008-09-09 US disclosed
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators LABORATORIES SALVAT, S.A. (ES) 2007-11-29 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 (3 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
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators PPARG, PPARD, PPARA TGFBR1 794/4885CYP3A4 873/4885CYP2C8 957/4885

“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.