SCHEMBL14993422

SCHEMBL14993422

Cn1c(=O)oc2cc([N+](=O)[O-])c(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ PKM P14618 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KMO O15229 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL1026696 0.83 HTT (0.45) LMNAMAPTKDM4EHTTNPSR1
SCHEMBL30690120 0.82 LMNA (0.44) LMNAMAPTKDM4EHTTNPSR1
SCHEMBL1027908 0.81 HTT (0.50) LMNAMAPTKDM4EHTTNPSR1
SCHEMBL15005983 0.76 MAPT (0.59) LMNAMAPTKDM4EHTTNPSR1
SCHEMBL1115715 0.74 PKM (0.41) LMNAKDM4ENPSR1ALDH1A1PKM
SCHEMBL7067342 0.74 IDO1 (0.55) MAPTKMOPOLBTP53MEN1
SCHEMBL11102992 0.73 POLB (0.49) LMNAMAPTHTTALDH1A1PKM
SCHEMBL748712 0.71 PKM (0.41) LMNAKDM4ENPSR1ALDH1A1PKM
SCHEMBL18306663 0.71 PKM (0.48) LMNAKDM4EHTTALDH1A1PKM
SCHEMBL22421772 0.69 MAPT (0.50) LMNAMAPTKDM4EHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 — — EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 — — EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 — — EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 — — EP disclosed
EP-2785709-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 — — EP disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 — — US disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 — — US disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 — — US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 — — WO disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 — — WO 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 (1 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-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LMNA 4361/4885MAPT 337/4885KDM4E 2179/4885

“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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