SCHEMBL3300233

SCHEMBL3300233

N#Cc1ccc(Nc2nc3cccc(NC4CCCNC4)n3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.46
▸ MAPKAPK2 P49137 4/20 0.46
▸ IDH2 P48735 1/20 0.44
▸ CHEK1 O14757 3/20 0.41
▸ IRAK4 Q9NWZ3 5/20 0.40
▸ CCNT1 O60563 3/20 0.39
▸ CCNK O75909 3/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ CDK12 Q9NYV4 3/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ GRM5 P41594 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
SCHEMBL3300220 1.00 CDK2 (0.46) CDK2MAPKAPK2IDH2CHEK1IRAK4
SCHEMBL3299841 0.86 CDK2 (0.46) CDK2MAPKAPK2IDH2CHEK1IRAK4
SCHEMBL3303060 0.85 IDH2 (0.48) CDK2MAPKAPK2IDH2CHEK1CCNT1
SCHEMBL3299720 0.85 IDH2 (0.48) CDK2MAPKAPK2IDH2CHEK1CCNT1
SCHEMBL13392304 0.82 IDH2 (0.45) CDK2MAPKAPK2IDH2CCNT1CDK9
SCHEMBL3304385 0.82 IDH2 (0.50) CDK2MAPKAPK2IDH2CHEK1IRAK4
SCHEMBL3309511 0.82 IDH2 (0.50) CDK2MAPKAPK2IDH2CHEK1IRAK4
SCHEMBL3302493 0.82 IDH2 (0.50) CDK2MAPKAPK2IDH2CHEK1IRAK4
SCHEMBL3304480 0.81 IDH2 (0.57) CDK2MAPKAPK2IDH2CHEK1CTSS
SCHEMBL3300452 0.81 IDH2 (0.57) CDK2MAPKAPK2IDH2CHEK1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 — — EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 — — US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 — — US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 — — 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 (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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CDK2 37/4885MAPKAPK2 23/4885IDH2 671/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CDK2 37/4885MAPKAPK2 23/4885IDH2 671/4885

“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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