SCHEMBL2517806

SCHEMBL2517806

CN(C)c1c([N+](=O)[O-])cnn1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2522126 0.79 ALDH1A1 (0.51) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL18156038 0.77 GAA (0.36) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL6970538 0.75 MEN1 (0.49) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL28969335 0.75 MEN1 (0.46) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL8385965 0.75 MEN1 (0.44) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL23066567 0.73 PKM (0.43) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL2521727 0.73 MEN1 (0.48) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL18366033 0.73 POLB (0.43) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL14800866 0.73 MEN1 (0.43) GAAMEN1KMT2APOLBCYP3A4
SCHEMBL27849208 0.73 PKM (0.41) GAAMEN1KMT2APOLBCYP3A4

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 21 patents — showing the first 20. 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-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 — — US disclosed
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-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-08 — — 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-8669361-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-03-11 — — 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-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-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
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 — — US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 — — US disclosed
EP-0375977-B1 Oxidation hairdyeing composition based upon diaminopyrazole derivatives, and these diaminopyrazole derivatives WELLA AG (DE) 1994-02-02 — — EP disclosed
US-5061289-A AS DEVELOPERS WELLA AKTIENGESELLSCHAFT (DE) 1991-10-29 — — US disclosed
WO-1990007504-A1 OXIDATION HAIR-DYEING AGENT CONTAINING DIAMINOPYRAZOLE DERIVATIVES AND NOVEL DIAMINOPYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 — — WO disclosed
EP-0375977-A1 Oxidation hairdyeing composition based upon diaminopyrazole derivatives, and these diaminopyrazole derivatives Wella Aktiengesellschaft (DE) 1990-07-04 — — EP 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 GAA 1993/4885MEN1 2887/4885KMT2A 2697/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 GAA 1993/4885MEN1 2887/4885KMT2A 2697/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 GAA 1993/4885MEN1 2887/4885KMT2A 2697/4885

“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.

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