SCHEMBL2520635

SCHEMBL2520635

Cn1ncc([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ CYP2C9 P11712 5/20 0.55
▸ CYP1A2 P05177 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CTSB P07858 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL2517779 0.94 MAPT (0.50) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL2520823 0.84 ALDH1A1 (0.50) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL2518024 0.84 MAPT (0.46) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL2524395 0.84 MAPT (0.39) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL14800498 0.82 LMNA (0.50) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL14800749 0.81 CYP2C9 (0.36) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL14800547 0.81 PIM1 (0.40) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL2522555 0.79 KDM4E (0.36) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19
SCHEMBL14800963 0.79 MEN1 (0.43) MAPTCYP2C9ALDH1A1POLBHPGD
SCHEMBL27979971 0.79 PKM (0.38) MAPTCYP2C9CYP1A2ALDH1A1CYP2C19

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 18 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-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-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-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

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 MAPT 1847/4885CYP2C9 1776/4885CYP1A2 2068/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MAPT 1847/4885CYP2C9 1776/4885CYP1A2 2068/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MAPT 1847/4885CYP2C9 1776/4885CYP1A2 2068/4885

“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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