Sugi Predict

Sugi Predict / Compounds / SCHEMBL1770846

SCHEMBL1770846

SCHEMBL1770846

Cc1cc(N)c(F)cc1C1CCN(C(=O)OC(C)(C)C)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.38
▸ THRB P10828 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ SMARCA2 P51531 1/20 0.33
▸ SMARCA4 P51532 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ NR1H3 Q13133 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
SCHEMBL1770333 0.83 THRB (0.52) DPP4THRBKDM4EMAPTGPR119
SCHEMBL20443150 0.76 ACACB (0.43) THRBKDM4EMAPTGPR119
SCHEMBL29574774 0.75 TRPC6 (0.41) DPP4THRBKDM4EMAPTGPR119
SCHEMBL22550614 0.75 TRPC6 (0.41) DPP4THRBKDM4EMAPTGPR119
SCHEMBL22550613 0.75 TRPC6 (0.41) DPP4THRBKDM4EMAPTGPR119
SCHEMBL29224755 0.75 TRPC6 (0.41) DPP4THRBKDM4EMAPTGPR119
SCHEMBL22550673 0.75 TRPC6 (0.41) DPP4THRBKDM4EMAPTGPR119
SCHEMBL29575106 0.75 TRPC6 (0.41) DPP4THRBKDM4EMAPTGPR119
SCHEMBL6502071 0.75 JAK2 (0.35) THRBKDM4EMAPTGPR119USP30
SCHEMBL25239949 0.74 CHRM5 (0.46) GPR119

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-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 — — US disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 — — US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 — — US disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 — — US disclosed
EP-2318392-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-11 — — EP disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 — — WO 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-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 DPP4 2815/4885THRB 1056/4885KDM4E 1272/4885
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK DPP4 2722/4885THRB 1240/4885KDM4E 1822/4885

“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.