SCHEMBL2520152

SCHEMBL2520152

CC(C)(C)C(NC(=O)O)C1CCN(c2[nH]ncc2N)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.32
PAK1 Q13153 5/20 0.31
MBOAT4 Q96T53 1/20 0.31
CKS1B P61024 2/20 0.31
SKP1 P63208 2/20 0.31
SKP2 Q13309 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2521767 0.77 PIM1 (0.40) CKS1BSKP1SKP2KMT2A
SCHEMBL1353797 0.75 GFER (0.43) SMYD3MEN1ALDH1A1KMT2A
SCHEMBL2520693 0.73 PIM1 (0.35)
SCHEMBL785864 0.72 ITGB3 (0.43)
SCHEMBL14686263 0.71 JAK3 (0.33) ALDH1A1
SCHEMBL1018733 0.68 ABL1 (0.51) CKS1BSKP1SKP2
SCHEMBL4400164 0.68 LMNA (0.53) KMT2A
SCHEMBL2519961 0.68 PKM (0.39) MEN1ALDH1A1KMT2A
SCHEMBL1018116 0.68 ABL1 (0.39) CKS1BSKP1SKP2
SCHEMBL4392400 0.68 LMNA (0.53) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 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-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 SMYD3 3180/4885PAK1 183/4885MBOAT4 4684/4885

“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.