SCHEMBL3589707

SCHEMBL3589707

CC(C)(C)OC(=O)NCc1ccccc1-n1cnc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.41
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
CPB2 Q96IY4 2/20 0.39
DRD2 P14416 3/20 0.38
NAMPT P43490 1/20 0.38
AKT1 P31749 1/20 0.37
SETDB1 Q15047 1/20 0.37
SCN9A Q15858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL30159605 0.75 KCNA5 (0.56) KCNA5HDAC10HDAC6KDM4ANAMPT
SCHEMBL8018113 0.75 KCNA5 (0.56) KCNA5HDAC10HDAC6KDM4ANAMPT
SCHEMBL1808874 0.73 KCNA5 (0.56) KCNA5HDAC10HDAC6KDM4ANAMPT
SCHEMBL26659635 0.72 KCNA5 (0.55) KCNA5HDAC10HDAC6KDM4ANAMPT
SCHEMBL3654246 0.71 CA1 (0.52) KCNA5HDAC10HDAC6DRD2NAMPT
SCHEMBL3656591 0.71 CA1 (0.44) KCNA5HDAC10HDAC6KDM4ADRD2
SCHEMBL16767053 0.71 KDM4E (0.50) KCNA5KDM4EKDM4ANAMPTAKT1
SCHEMBL29883701 0.71 KDM4E (0.50) KCNA5KDM4EKDM4ANAMPTAKT1
SCHEMBL21484230 0.71 HDAC10 (0.42) KCNA5HDAC10HDAC6KDM4ANAMPT
SCHEMBL6990507 0.71 DRD2 (0.48) KCNA5KDM4ADRD2NAMPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 KCNA5 1218/4885HDAC10 1157/4885HDAC6 999/4885

“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.