SCHEMBL18502852

SCHEMBL18502852

CNc1cnn(CC(=O)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.43
CCNC P24863 6/20 0.43
CDK8 P49336 6/20 0.43
FLT3 P36888 1/20 0.43
MYLK Q15746 1/20 0.43
AURKB Q96GD4 1/20 0.43
CILK1 Q9UPZ9 1/20 0.43
CDK11A Q9UQ88 1/20 0.43
PTK2 Q05397 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.41
IGF1R P08069 2/20 0.41
PDK2 Q15119 1/20 0.40
JAK3 P52333 2/20 0.39
ALOX5AP P20292 1/20 0.38
FGFR3 P22607 1/20 0.38
ALK Q9UM73 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 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
SCHEMBL17207643 0.81 TAS2R8 (0.44) CYP11B2CCNCCDK8AURKBTAS2R8
SCHEMBL10044956 0.78 ALPI (0.50) CYP11B2CCNCCDK8FLT3MYLK
SCHEMBL18508505 0.77 TYK2 (0.43) FLT3TAS2R8PDK2JAK3JAK2
SCHEMBL1703729 0.77 CCNC (0.45) CCNCCDK8FLT3MYLKAURKB
SCHEMBL12492720 0.77 CCNC (0.45) CYP11B2CCNCCDK8FLT3MYLK
SCHEMBL17605207 0.77 CCNC (0.47) CYP11B2CCNCCDK8FLT3MYLK
SCHEMBL22236775 0.76 CYP11B2 (0.60) CYP11B2
SCHEMBL12020134 0.75 CCNC (0.44) CCNCCDK8FLT3MYLKAURKB
SCHEMBL16472361 0.75 CCNC (0.46) CCNCCDK8FLT3MYLKAURKB
SCHEMBL26005634 0.75 CCNC (0.44) CYP11B2CCNCCDK8FLT3MYLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885CCNC 2386/4885CDK8 2180/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885CCNC 2256/4885CDK8 2035/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885CCNC 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.