SCHEMBL14994009

SCHEMBL14994009

O=C(c1cc(F)c(F)cc1Br)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ CNR1 P21554 4/20 0.54
▸ HPGD P15428 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ERN1 O75460 1/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ EPHX2 P34913 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA3 P07451 1/20 0.47

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
SCHEMBL15765232 0.89 MAPT (0.60) MAPTTSHRCNR1HPGDHTT
SCHEMBL2931560 0.80 TSHR (0.54) MAPTTSHRCNR1HPGDHTT
SCHEMBL16379735 0.80 MAPT (0.57) MAPTTSHRCNR1KDM4EEPHX2
SCHEMBL29897652 0.80 MAPT (0.57) MAPTTSHRCNR1ERN1EPHX2
SCHEMBL968813 0.80 MAPT (0.57) MAPTTSHRCNR1ERN1EPHX2
SCHEMBL17974500 0.78 ERN1 (0.58) MAPTTSHRCNR1HPGDKDM4E
SCHEMBL16345085 0.77 TSHR (0.55) MAPTTSHRCNR1HPGDHTT
SCHEMBL29611663 0.77 TSHR (0.55) MAPTTSHRCNR1HPGDHTT
SCHEMBL2826036 0.77 MAPT (0.62) MAPTTSHRCNR1HTTKDM4E
SCHEMBL19928509 0.76 ERN1 (0.53) MAPTTSHRCNR1HPGDHTT

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
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 — — EP disclosed
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 — — EP disclosed
EP-2785699-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 — — EP disclosed
US-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 — — US disclosed
US-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 — — US disclosed
US-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 — — US disclosed
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
WO-2013079494-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 — — WO disclosed
WO-2013079494-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE 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-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, P2RX6 MAPT 472/4885TSHR 1334/4885CNR1 1040/4885

“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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