SCHEMBL3299841

SCHEMBL3299841

N#Cc1ccc(Nc2nc3ccnc(NC4CCCNC4)n3n2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.46
▸ MAPKAPK2 P49137 8/20 0.46
▸ CHEK1 O14757 5/20 0.41
▸ CCNT1 O60563 2/20 0.40
▸ CCNK O75909 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CDK12 Q9NYV4 2/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ CHEK2 O96017 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 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 0.86 CDK2 (0.46) CDK2MAPKAPK2CHEK1CCNT1CCNK
SCHEMBL3300233 0.86 CDK2 (0.46) CDK2MAPKAPK2CHEK1CCNT1CCNK
Hydrochloric Acid SCHEMBL3303920 0.76 MAPKAPK2 (0.39) CDK2MAPKAPK2CHEK2
SCHEMBL3303037 0.75 EGLN2 (0.42) CDK2GRM5
SCHEMBL3304389 0.71 EGLN2 (0.48) GRM5
SCHEMBL3303060 0.71 IDH2 (0.48) CDK2MAPKAPK2CHEK1CCNT1CDK9
SCHEMBL3299720 0.71 IDH2 (0.48) CDK2MAPKAPK2CHEK1CCNT1CDK9
SCHEMBL13392304 0.68 IDH2 (0.45) CDK2MAPKAPK2CCNT1CDK9IDH2
SCHEMBL3309911 0.68 KMT2A (0.43) —
SCHEMBL2145075 0.68 EGLN2 (0.40) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 — — 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 23/4885CHEK1 44/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CDK2 37/4885MAPKAPK2 23/4885CHEK1 44/4885

“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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