SCHEMBL11339198

SCHEMBL11339198

CSc1nncc(-c2ccc(C)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.73
▸ L3MBTL1 Q9Y468 3/20 0.73
▸ CYP1A2 P05177 3/20 0.62
▸ CYP2C19 P33261 3/20 0.62
▸ CYP2C9 P11712 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ TNFSF10 P50591 1/20 0.41
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL11337642 0.84 ALDH1A1 (0.71) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL2326315 0.84 ALDH1A1 (1.00) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL11336014 0.84 L3MBTL1 (0.71) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL2324818 0.84 ALDH1A1 (0.70) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL22322825 0.82 ALDH1A1 (0.68) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL11338836 0.81 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL11340045 0.81 ALDH1A1 (0.67) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL11631291 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL23093193 0.79 ALDH1A1 (0.63) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL29802671 0.79 ALDH1A1 (0.63) ALDH1A1L3MBTL1CYP1A2CYP2C19CYP2C9

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 7 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
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
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 — — 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 ALDH1A1 68/4885L3MBTL1 4841/4885CYP1A2 97/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 ALDH1A1 80/4885L3MBTL1 4862/4885CYP1A2 99/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ALDH1A1 68/4885L3MBTL1 4841/4885CYP1A2 97/4885

“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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