SCHEMBL18502918

SCHEMBL18502918

O=c1cn[nH]c(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ PIK3CB P42338 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ PIM1 P11309 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 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
SCHEMBL3701153 0.71 LMNA (0.42) PIK3CBPIK3CAALDH1A1PIK3CDTP53
SCHEMBL5759446 0.69 ALDH1A1 (0.47) PIK3CBPIK3CAALDH1A1PIK3CDMEN1
SCHEMBL541490 0.68 POLB (0.49) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL9010456 0.67 TYMP (0.43) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL21914523 0.66 PIM1 (0.49) PIK3CBTSHRPIK3CAALDH1A1TP53
SCHEMBL5175874 0.66 GAA (0.53) PIK3CBTSHRPIK3CAALDH1A1TP53
SCHEMBL26130480 0.66 PIK3CB (0.43) CDC7DBF4PIK3CBTSHRPIK3CA
SCHEMBL30544684 0.65 PIK3CD (0.53) PIK3CBTSHRPIK3CAALDH1A1PIK3CD
SCHEMBL30604932 0.65 KMT2A (0.53) PIK3CBTSHRPIK3CAALDH1A1PIK3CD
SCHEMBL1286635 0.64 KDM4E (0.51) PIK3CBTSHRPIK3CAALDH1A1PIK3CD

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 CDC7 2527/4885CCNE1 1008/4885CDK2 1357/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 CDC7 2780/4885CCNE1 949/4885CDK2 1261/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 CDC7 2527/4885CCNE1 1008/4885CDK2 1357/4885

“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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