SCHEMBL13648064

SCHEMBL13648064

CC(=O)N1CCCN(c2cc(-n3cnc(Nc4ccccc4)n3)ncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ FLT3 P36888 5/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ CCNB1 P14635 3/20 0.41
▸ BPTF Q12830 1/20 0.41
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ PIK3CA P42336 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
SCHEMBL13647873 0.87 FLT3 (0.46) LOXL2FLT3CDK1CCNB1BPTF
SCHEMBL13648167 0.79 LOXL2 (0.35) LOXL2ALKMAPK8MAPK10
SCHEMBL13647881 0.77 ALDH1A1 (0.40) LOXL2FLT3CDK1CCNB1CCNE1
SCHEMBL18278656 0.77 CDK1 (0.46) FLT3CDK1CCNB1CCNE1CDK2
SCHEMBL13647874 0.77 CKS1B (0.42) LOXL2FLT3CDK1CCNB1CKS1B
SCHEMBL13647876 0.75 MAPT (0.41) LOXL2FLT3CDK1CCNB1CCNE1
SCHEMBL13647969 0.75 MEN1 (0.40) FLT3CDK1CCNB1BPTFCCNE1
SCHEMBL13647880 0.75 USP7 (0.39) LOXL2FLT3CDK1CCNB1SMN1; SMN2
SCHEMBL13647884 0.75 ALDH1A1 (0.43) FLT3CDK1CCNB1SYKSMN1; SMN2
SCHEMBL13647984 0.75 SYK (0.44) FLT3CDK1CCNB1CCNE1CDK2

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 LOXL2 2959/4885FLT3 159/4885CDK1 48/4885

“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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