SCHEMBL13647969

SCHEMBL13647969

CNC(=O)Nc1ccc(Nc2ncn(-c3ccnc(N4CCCN(C(C)=O)CC4)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FLT3 P36888 8/20 0.40
▸ JAK2 O60674 4/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ BPTF Q12830 1/20 0.39
▸ CDK1 P06493 5/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ CDK7 P50613 4/20 0.38
▸ CCNB1 P14635 3/20 0.38
▸ ALK Q9UM73 2/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ AURKA O14965 3/20 0.38
▸ CDK4 P11802 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ AURKB Q96GD4 3/20 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
SCHEMBL13647984 0.89 SYK (0.44) MEN1MAPTKMT2AFLT3JAK2
SCHEMBL13647873 0.88 FLT3 (0.46) FLT3USP30SYKBPTFCDK1
SCHEMBL13647955 0.87 GALR2 (0.39) MEN1MAPTKMT2AFLT3JAK2
SCHEMBL13647961 0.87 SYK (0.38) MEN1MAPTKMT2AFLT3JAK2
SCHEMBL13647965 0.85 SMN1; SMN2 (0.45) MEN1MAPTKMT2AFLT3JAK2
SCHEMBL13647972 0.84 SYK (0.42) MEN1MAPTKMT2AFLT3SYK
SCHEMBL13647975 0.83 SYK (0.44) MAPTFLT3JAK2SYKCDK1
SCHEMBL13647892 0.83 ALDH1A1 (0.47) MEN1MAPTKMT2AUSP30SYK
SCHEMBL13647980 0.81 ALK (0.44) MAPTFLT3JAK2SYKCDK1
SCHEMBL13647881 0.80 ALDH1A1 (0.40) MAPTFLT3CDK1CDK2CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — 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 (1 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-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 MEN1 2530/4885MAPT 599/4885KMT2A 508/4885

“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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