SCHEMBL2515869

SCHEMBL2515869

Cn1ncc([N+](=O)[O-])c1N1CCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
GAA P10253 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2515867 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2522631 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14800963 0.92 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL14801332 0.88 PIM1 (0.35) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2518356 0.85 MAPT (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2518353 0.85 MAPT (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2522272 0.85 MAPT (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2519841 0.83 MEN1 (0.39) MEN1KMT2AALDH1A1GAACYP3A4
SCHEMBL28813851 0.82 GAA (0.35) MEN1KMT2AGAAOPRK1CYP3A4
SCHEMBL14801231 0.82 CYP3A4 (0.30) LMNACYP3A4CYP2C9

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-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US 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
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 MEN1 2887/4885KMT2A 2697/4885ALDH1A1 1703/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MEN1 2887/4885KMT2A 2697/4885ALDH1A1 1703/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MEN1 2887/4885KMT2A 2697/4885ALDH1A1 1703/4885

“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.