SCHEMBL14800952

SCHEMBL14800952

Cn1ncc(N)c1N1CCC(F)C(NC(=O)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 20/20 0.41
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
MAP4K4 O95819 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
GSK3B P49841 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL14803036 1.00 PIM1 (0.41) PIM1PIM3PIM2MAP4K4CYP3A4
SCHEMBL14800312 1.00 PIM1 (0.41) PIM1PIM3PIM2MAP4K4CYP3A4
SCHEMBL14800313 1.00 PIM1 (0.41) PIM1PIM3PIM2MAP4K4CYP3A4
SCHEMBL14800434 0.89 PIM1 (0.41) PIM1PIM3PIM2
SCHEMBL14802965 0.89 PIM1 (0.41) PIM1PIM3PIM2
SCHEMBL15615354 0.89 PIM1 (0.41) PIM1PIM3PIM2
SCHEMBL14800962 0.87 PIM1 (0.42) PIM1PIM3PIM2MAP4K4CYP3A4
SCHEMBL14803250 0.87 PIM1 (0.40) PIM1GSK3B
SCHEMBL14800574 0.87 PIM1 (0.40) PIM1GSK3B
SCHEMBL14800454 0.86 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US disclosed
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8614206-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-12-24 US 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
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 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 (2 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-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885
US-20140080801-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.