SCHEMBL2522397

SCHEMBL2522397

Cn1ncc(N)c1N1CCC(CCNC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.39
PIM3 Q86V86 6/20 0.39
PIM2 Q9P1W9 6/20 0.39
CHRM4 P08173 6/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL2548064 0.88 PIM1 (0.40) PIM1PIM3PIM2POLBKMT2A
SCHEMBL2519745 0.83 CKS1B (0.42) PIM1PIM3PIM2POLBKMT2A
SCHEMBL2551768 0.82 PIM2 (0.43) PIM1PIM3PIM2POLB
SCHEMBL2570312 0.77 PIM1 (0.39) PIM1PIM3PIM2
SCHEMBL12209824 0.76 CKS1B (0.48) SIRT2SIRT1SIRT3
SCHEMBL12209826 0.76 CKS1B (0.48) SIRT2SIRT1SIRT3
SCHEMBL2522549 0.76 PIM1 (0.36) PIM1PIM3PIM2POLBKMT2A
SCHEMBL2578141 0.76 PIM1 (0.36) PIM1PIM3PIM2POLBKMT2A
SCHEMBL2520690 0.76 PIM1 (0.36) PIM1PIM3PIM2POLBKMT2A
SCHEMBL27906979 0.74 PIM1 (0.42) PIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
EP-2556066-B1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-08 US disclosed
US-8669361-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-03-11 US disclosed
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-08 US disclosed
US-8436001-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-07 US disclosed
EP-2556066-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-02-13 EP 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 (3 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-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885

“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.