SCHEMBL14800730

SCHEMBL14800730

O=[N+]([O-])c1cnn(CC(F)F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
PKM P14618 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
CHRM1 P11229 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL28206187 0.81 ALDH1A1 (0.35) ALDH1A1PKMLMNASMN1; SMN2HPGD
SCHEMBL29173477 0.81 SMN1; SMN2 (0.39) ALDH1A1PKMLMNASMN1; SMN2CHRM1
SCHEMBL2515929 0.78 SMN1; SMN2 (0.47) ALDH1A1PKMLMNASMN1; SMN2MEN1
SCHEMBL26123972 0.75 PKM (0.37) ALDH1A1PKMLMNASMN1; SMN2TSHR
SCHEMBL19893289 0.74 SMN1; SMN2 (0.42) ALDH1A1PKMLMNASMN1; SMN2MEN1
SCHEMBL2523142 0.73 NPBWR1 (0.35) PKMSMN1; SMN2KMT2ATXNRD1POLB
SCHEMBL38653331 0.73 PIN1 (0.46) ALDH1A1PKMTSHRTXNRD1POLB
SCHEMBL16975433 0.73 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL15081284 0.73 TDP1 (0.43) ALDH1A1PKMLMNATSHRCYP3A4
SCHEMBL15882234 0.72 VCAM1 (0.39) ALDH1A1PKMLMNASMN1; SMN2MEN1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4211119-B1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-12570640-B2 2-aminoquinazolines as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-03-10 US disclosed
US-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-02-03 US disclosed
US-20230303540-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-09-28 US disclosed
US-20230303540-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-09-28 US disclosed
EP-4211119-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2023-07-19 EP disclosed
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2023-01-26 US disclosed
CN-115243687-A N- (heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions and uses thereof 默沙东有限责任公司 2022-10-25 CN disclosed
EP-4048261-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2022-08-31 EP disclosed
WO-2022051337-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-03-10 WO disclosed
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-27 US disclosed
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-27 US disclosed
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-27 US disclosed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 US 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
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 (7 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-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, SNCA ALDH1A1 2665/4885PKM 1619/4885LMNA 2069/4885
US-12570640-B2 2-aminoquinazolines as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, CLK2 ALDH1A1 3924/4885PKM 1834/4885LMNA 1809/4885
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 ALDH1A1 4080/4885PKM 773/4885LMNA 1825/4885
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ALDH1A1 1462/4885PKM 8/4885LMNA 690/4885
US-20230303540-A1 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 ALDH1A1 3505/4885PKM 564/4885LMNA 1169/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ALDH1A1 1462/4885PKM 8/4885LMNA 690/4885
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ALDH1A1 3026/4885PKM 41/4885LMNA 685/4885

“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.