SCHEMBL18502940

SCHEMBL18502940

CN(CCS(C)(=O)=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.39
CTSK P43235 2/20 0.38
DRD2 P14416 4/20 0.37
CCR5 P51681 1/20 0.37
GAA P10253 2/20 0.36
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA2 P00918 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
KCNA3 P22001 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL10102977 0.84 BTK (0.43) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22200809 0.81 BTK (0.46) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL22191307 0.81 BTK (0.46) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL7585222 0.81 BTK (0.41) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL7585234 0.81 BTK (0.41) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL2226822 0.80 DRD2 (0.47) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL2297597 0.80 DRD2 (0.47) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL3202305 0.80 BTK (0.44) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL3202310 0.80 BTK (0.44) BTKKDM1AMAOBEPHX1CTSK
SCHEMBL13874220 0.79 DRD2 (0.45) BTKKDM1AMAOBEPHX1CTSK

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 BTK 4124/4885KDM1A 1079/4885MAOB 1496/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 BTK 4059/4885KDM1A 1369/4885MAOB 1432/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 BTK 4124/4885KDM1A 1079/4885MAOB 1496/4885

“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.