SCHEMBL16371571

SCHEMBL16371571

FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ABL1 P00519 9/20 0.39
▸ BCR P11274 8/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ ABCG2 Q9UNQ0 4/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ GALR1 P47211 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ ABCB1 P08183 2/20 0.37
▸ ABCC1 P33527 1/20 0.36

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
SCHEMBL13821443 0.87 ABL1 (0.50) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16363369 0.76 ABL1 (0.50) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL18696385 0.75 P2RY1 (0.35) GSK3BFLT1FLT4KDRABL1
SCHEMBL3451765 0.73 ABCG2 (0.59) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3451398 0.71 CHRNA7 (0.52) KDRABL1BCRKDM4EMAPT
SCHEMBL3395506 0.67 ABL1 (0.67) ABL1BCR
SCHEMBL3450607 0.66 ABL1 (0.64) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3450887 0.66 GALR2 (0.52) ABL1BCRABCG2GALR2GALR1
SCHEMBL5482810 0.66 KMT2A (0.76) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL16739950 0.66 ABL1 (0.46) ABL1BCRKDM4EMAPTMAPK1

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
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 — — US claimed
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 — — EP claimed
WO-2015006591-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 — — WO claimed
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2019-08-13 — — US disclosed
US-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER SERVIER PHARMACEUTICALS LLC 2016-06-09 — — US disclosed
EP-3019480-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER Agios Pharmaceuticals, Inc. (US) 2016-05-18 — — EP disclosed
CN-105593215-A 2, 4-or 4, 6-diaminopyrimidine compounds as IDH2 mutant inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS INC 2016-05-18 — — CN disclosed
WO-2015006591-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2015-01-15 — — WO 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-20160158230-A1 2,4- OR 4,6-DIAMINOPYRIMIDINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER IDH2, IDH3B, IDH3A GSK3B 2340/4885FLT1 2391/4885FLT4 2339/4885
US-10376510-B2 2,4- or 4,6-diaminopyrimidine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A GSK3B 2340/4885FLT1 2391/4885FLT4 2339/4885

“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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