SCHEMBL17207643

SCHEMBL17207643

CNC(=O)Cn1cc(NC)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CYP11B2 P19099 4/20 0.42
JAK3 P52333 4/20 0.42
JAK1 P23458 1/20 0.42
JAK2 O60674 1/20 0.41
PDK2 Q15119 2/20 0.41
MAPT P10636 1/20 0.41
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
MAP4K4 O95819 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PLK1 P53350 1/20 0.38
BTK Q06187 1/20 0.37

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
SCHEMBL18508505 0.85 TYK2 (0.43) TAS2R8JAK3JAK2PDK2MAPT
SCHEMBL18502852 0.81 CYP11B2 (0.43) TAS2R8CCNCCDK8CYP11B2JAK3
SCHEMBL10084730 0.80 ALPI (0.51) CCNCCDK8CYP11B2PDK2MAPT
SCHEMBL17382262 0.79 CCNC (0.43) CCNCCDK8CYP11B2JAK3JAK1
SCHEMBL1662956 0.79 CCNC (0.43) CCNCCDK8PDK2MAPTKDR
SCHEMBL23011679 0.79 CCNC (0.43) CCNCCDK8CYP11B2JAK3JAK1
SCHEMBL17605717 0.79 ALDH1A1 (0.47) CCNCCDK8CYP11B2PDK2MAPT
SCHEMBL10080930 0.77 CCNC (0.42) CCNCCDK8PDK2MAPTMAP4K4
SCHEMBL12020135 0.77 CCNC (0.42) CCNCCDK8JAK3PDK2MAPT
SCHEMBL26005690 0.76 CCNC (0.41) CCNCCDK8CYP11B2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 US disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
EP-3135668-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
WO-2015163427-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND 田辺三菱製薬株式会社 2015-10-29 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 (4 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 TAS2R8 4573/4885CCNC 2386/4885CDK8 2180/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 TAS2R8 4494/4885CCNC 2256/4885CDK8 2035/4885
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 TAS2R8 4272/4885CCNC 3410/4885CDK8 3262/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 TAS2R8 4573/4885CCNC 2386/4885CDK8 2180/4885

“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.