SCHEMBL18502913

SCHEMBL18502913

CC(C)(C)OC(=O)N1CCN(c2nncc(-c3cccc4c3OCC4)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.47
▸ SMARCA2 P51531 1/20 0.42
▸ SMARCA4 P51532 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ CKS1B P61024 2/20 0.40
▸ SKP1 P63208 2/20 0.40
▸ SKP2 Q13309 2/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ GPR119 Q8TDV5 5/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ PIK3CA P42336 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
SCHEMBL17207677 0.79 CYP11B2 (0.58) CYP11B2
SCHEMBL5366208 0.78 NAMPT (0.47) SMARCA2SMARCA4PBRM1MAPTCKS1B
SCHEMBL18502899 0.74 CYP11B2 (0.52) CYP11B2MAPTCKS1BSKP1SKP2
SCHEMBL18502952 0.74 CYP11B2 (0.52) CYP11B2SMARCA2SMARCA4PBRM1MAPT
SCHEMBL18508396 0.73 CYP11B2 (0.64) CYP11B2
SCHEMBL17207658 0.72 GPR119 (0.43) MAPTCKS1BSKP1SKP2PTPN11
SCHEMBL17207585 0.72 CYP11B2 (0.59) CYP11B2MAPTCKS1BSKP1SKP2
SCHEMBL5369055 0.72 HTR1A (0.46) SMARCA2SMARCA4PBRM1MAPTCKS1B
SCHEMBL18502870 0.72 CYP11B2 (0.51) CYP11B2MAPTCKS1BSKP1SKP2
SCHEMBL17207602 0.71 GPR119 (0.47) MAPTCKS1BSKP1SKP2PTPN11

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-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

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 19/4885SMARCA2 1885/4885SMARCA4 2118/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CYP11B2 17/4885SMARCA2 2581/4885SMARCA4 2657/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CYP11B2 19/4885SMARCA2 1885/4885SMARCA4 2118/4885

“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.

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