SCHEMBL20210922

SCHEMBL20210922

CC(C)(O)CNc1nc(NOC(C)(C)C)nc(-c2cccc(C(F)(F)F)n2)n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 14/20 0.70
▸ IDH1 O75874 13/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64
▸ CHRM1 P11229 1/20 0.64
▸ TBXA2R P21731 1/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ ADORA1 P30542 1/20 0.64
▸ ADRA1A P35348 1/20 0.64
▸ OPRM1 P35372 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64

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
SCHEMBL18557150 0.86 IDH2 (0.76) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL28565595 0.86 IDH1 (0.76) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL20210919 0.84 IDH2 (0.60) IDH2IDH1
SCHEMBL24754739 0.84 IDH2 (0.72) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL28568751 0.83 IDH2 (0.65) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL29763239 0.83 IDH2 (0.71) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL29763396 0.83 IDH2 (0.71) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL15124311 0.83 IDH2 (0.71) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL15094940 0.83 IDH2 (0.71) IDH2IDH1ABCB11ADORA3CHRM1
SCHEMBL20210918 0.81 IDH1 (0.79) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3/4885ABCB11 2009/4885
US-10654826-B2 — IDH2, IDH1, IDH3A IDH2 1/4885IDH1 2/4885ABCB11 499/4885

“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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