SCHEMBL20210919

SCHEMBL20210919

CC(C)(C)ONc1nc(NCc2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 10/20 0.60
▸ IDH1 O75874 13/20 0.55
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL18557175 0.88 IDH1 (0.64) IDH2IDH1TP53SMN1; SMN2
SCHEMBL20210922 0.84 IDH2 (0.70) IDH2IDH1
SCHEMBL20210921 0.84 IDH2 (0.75) IDH2IDH1
SCHEMBL28565600 0.82 IDH2 (0.53) IDH2IDH1
SCHEMBL20210918 0.81 IDH1 (0.79) IDH2IDH1
SCHEMBL21573323 0.80 NPSR1 (0.59) IDH2IDH1TP53SMN1; SMN2
SCHEMBL18760599 0.79 IDH1 (0.83) IDH2IDH1
SCHEMBL18557080 0.78 IDH2 (0.53) IDH2IDH1
SCHEMBL16392799 0.77 IDH1 (0.80) IDH2IDH1
SCHEMBL21573291 0.77 IDH1 (0.80) IDH2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307794-A 1,3, 5-triazine derivatives and methods of use thereof 正大天晴药业集团股份有限公司 2021-08-27 — — CN disclosed
EP-3330258-B1 1, 3, 5-TRIAZINE DERIVATIVE AND METHOD OF USING SAME CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-07-14 — — EP disclosed
EP-3330258-B1 1, 3, 5-TRIAZINE DERIVATIVE AND METHOD OF USING SAME CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-07-14 — — EP disclosed
CN-107922358-B 1,3, 5-triazine derivatives and methods of use thereof 正大天晴药业集团股份有限公司 2021-05-07 — — CN disclosed
US-10745383-B2 1,3,5-triazine derivative and method of using same CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-18 — — US disclosed
US-10745383-B2 1,3,5-triazine derivative and method of using same CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-18 — — US disclosed
US-10654826-B2 — — 2020-05-19 — — US disclosed
US-10654826-B2 — — 2020-05-19 — — US disclosed
EP-3330258-A1 1, 3, 5-TRIAZINE DERIVATIVE AND METHOD OF USING SAME Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-06-06 — — EP disclosed
EP-3330258-A1 1, 3, 5-TRIAZINE DERIVATIVE AND METHOD OF USING SAME Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-06-06 — — EP 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 (2 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-10745383-B2 1,3,5-triazine derivative and method of using same IDH2, IDH3A, IDH1 IDH2 1/4885IDH1 3/4885TP53 5/4885
US-10654826-B2 — IDH2, IDH1, IDH3A IDH2 1/4885IDH1 2/4885TP53 5/4885

“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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