SCHEMBL3977836

SCHEMBL3977836

Cc1nn(-c2ccccc2)c(C)c1NC(=O)Nc1ccc(C(Cc2ccccc2F)c2nc3c([nH]2)c(=O)[nH]c(=O)n3CC2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 12/20 0.41
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.35
KCNJ6 P48051 3/20 0.35
KCNJ5 P48544 3/20 0.35
KCNJ3 P48549 3/20 0.35
FPR2 P25090 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3978661 0.85 PCK1 (0.53) PCK1HTT
SCHEMBL3978029 0.84 PCK1 (0.41) PCK1POLBKCNJ6KCNJ5KCNJ3
SCHEMBL3977690 0.83 PCK1 (0.52) PCK1HTT
SCHEMBL3982176 0.83 PCK1 (0.50) PCK1HTT
SCHEMBL3981170 0.82 PCK1 (0.56) PCK1LMNA
SCHEMBL3978657 0.80 PCK1 (0.51) PCK1
SCHEMBL6427176 0.80 PCK1 (0.45) PCK1ALDH1A1HTT
SCHEMBL4614243 0.80 PCK1 (0.53) PCK1
SCHEMBL4613199 0.80 PCK1 (0.47) PCK1ALDH1A1
SCHEMBL3978815 0.79 MTOR (0.41) PCK1

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-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US claimed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL PCK1 14/4885P2RX7 1472/4885POLB 3880/4885

“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.