SCHEMBL14800331

SCHEMBL14800331

CCn1ncc([N+](=O)[O-])c1N1CCC(NC(=O)O)C(OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
PIM1 P11309 4/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ABCC2 Q92887 1/20 0.37
OPRK1 P41145 1/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSB P07858 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
SCHEMBL14801569 0.88 ABCC2 (0.38) PIM1ABCC2OPRK1MAPTTDP1
SCHEMBL14801272 0.88 RET (0.42) SMN1; SMN2PIM1ALDH1A1LMNAHPGD
SCHEMBL14800618 0.88 RET (0.42) SMN1; SMN2PIM1ALDH1A1LMNAHPGD
SCHEMBL14800554 0.88 RET (0.42) SMN1; SMN2PIM1ALDH1A1LMNAHPGD
SCHEMBL14800723 0.87 ABCC2 (0.39) PIM1ABCC2OPRK1MAPTTDP1
SCHEMBL14800314 0.86 SMN1; SMN2 (0.39) SMN1; SMN2PIM1ALDH1A1LMNAHPGD
SCHEMBL14801780 0.77 TDP1 (0.38) PIM1HPGDOPRK1MAPTTDP1
SCHEMBL14803007 0.76 RET (0.41) PIM1OPRK1MAPTTDP1
SCHEMBL14800543 0.76 RET (0.41) PIM1OPRK1MAPTTDP1
SCHEMBL14800754 0.75 PIM1 (0.38) SMN1; SMN2PIM1ALDH1A1LMNAHPGD

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 SMN1; SMN2 2578/4885PIM1 1/4885ALDH1A1 1462/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 SMN1; SMN2 2578/4885PIM1 1/4885ALDH1A1 1462/4885

“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.