SCHEMBL14801445

SCHEMBL14801445

O=[N+]([O-])c1cnn(CC2COC2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
PKM P14618 2/20 0.32
VCAM1 P19320 1/20 0.31
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
LMNA P02545 3/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2523142 0.87 NPBWR1 (0.35) SMN1; SMN2PKMNPBWR1POLB
SCHEMBL16985416 0.83 SMN1; SMN2 (0.38) SMN1; SMN2PKMHTTATMCYP1A2
SCHEMBL22518587 0.78 PKM (0.37) PKMLMNACYP1A2CYP2C9CYP2C19
SCHEMBL27228062 0.76 TDP1 (0.39) LMNAHTTATMCYP1A2GAA
SCHEMBL16985291 0.74 PKM (0.34) PKM
SCHEMBL2515929 0.73 SMN1; SMN2 (0.47) SMN1; SMN2PKMVCAM1LMNAHPGD
SCHEMBL22518624 0.72 LRRK2 (0.41) PKMLMNAHTTPOLB
SCHEMBL22518622 0.70 LRRK2 (0.44) PKM
SCHEMBL14800730 0.70 ALDH1A1 (0.35) SMN1; SMN2PKMLMNAHPGDHTT
SCHEMBL15528412 0.70 LRRK2 (0.38) SMN1; SMN2PKMLMNAHPGDPOLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20180354956-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-13 US disclosed
US-10087186-B2 Compounds as LRRK2 kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-02 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
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 (6 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 SMN1; SMN2 40/4885PKM 957/4885VCAM1 3655/4885
US-10087186-B2 Compounds as LRRK2 kinase inhibitors LRRK2, PINK1, PARK7 SMN1; SMN2 180/4885PKM 576/4885VCAM1 3596/4885
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 SMN1; SMN2 2578/4885PKM 8/4885VCAM1 3087/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 SMN1; SMN2 2578/4885PKM 8/4885VCAM1 3087/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 SMN1; SMN2 21/4885PKM 641/4885VCAM1 3492/4885
US-20180354956-A1 COMPOUNDS LRRK2, PARK7, PINK1 SMN1; SMN2 21/4885PKM 641/4885VCAM1 3492/4885

“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.