SCHEMBL13647874

SCHEMBL13647874

CCC(=O)N1CCCN(c2cc(-n3cnc(Nc4ccccc4)n3)ccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL13647876 0.93 MAPT (0.41) MAPTALDH1A1HSD17B10HPGDALOX15
SCHEMBL13647884 0.91 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDGRM5KDM4E
SCHEMBL13647880 0.91 USP7 (0.39) MAPTALDH1A1HSD17B10HPGDALOX15
SCHEMBL13647873 0.90 FLT3 (0.46) ALDH1A1KDM4ELOXL2SYKCDK1
SCHEMBL13647886 0.89 JAK2 (0.47) ALDH1A1HSD17B10HPGDALOX15GRM5
SCHEMBL13647881 0.88 ALDH1A1 (0.40) MAPTALDH1A1KDM4ELOXL2SMN1; SMN2
SCHEMBL13647887 0.82 HRH4 (0.46) MAPTALDH1A1RECQLSMN1; SMN2LMNA
SCHEMBL13647853 0.82 HRH4 (0.46) MAPTALDH1A1RECQLSMN1; SMN2LMNA
SCHEMBL2855000 0.82 HRH4 (0.46) MAPTALDH1A1RECQLSMN1; SMN2LMNA
SCHEMBL13647975 0.80 SYK (0.44) MAPTKDM4ELMNAJAK2JAK1

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 CKS1B 123/4885SKP1 457/4885SKP2 64/4885

“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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