SCHEMBL15528192

SCHEMBL15528192

CCc1nn2c(c1C(=O)O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ PRMT1 Q99873 12/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ INMT O95050 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL24173221 0.86 PRMT1 (0.35) PRMT1PRMT6
SCHEMBL24173026 0.81 PRMT1 (0.33) PRMT1PRMT6
SCHEMBL31053394 0.79 HCAR2 (0.35) KDM4EPRMT1KMT2APRMT6GRM5
SCHEMBL2436166 0.77 ALDH1A1 (0.33) PRMT1KMT2APRMT6GRM5MEN1
SCHEMBL21836672 0.75 SLC6A2 (0.39) KDM4EKMT2AMEN1RAB9ATHRB
SCHEMBL25786562 0.73 PRMT1 (0.35) PRMT1PRMT6THRBTGFBR1MAPK14
SCHEMBL24288747 0.72 SLC22A12 (0.38) KMT2AMEN1MAPK1THRBMAPK14
SCHEMBL26978255 0.71 KMT2A (0.33) KDM4EKMT2AMEN1
SCHEMBL27396595 0.71 MAPK1 (0.33) KDM4EPRMT1KMT2AMEN1MAPK1
SCHEMBL16708908 0.70 KMT2A (0.31) KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 — — EP disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 — — US disclosed
EP-2844658-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-03-11 — — EP disclosed
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS GENENTECH, INC. (US) 2015-02-19 — — US disclosed
WO-2013164323-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-11-07 — — 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-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS LRRK2, PARK7, PINK1 KDM4E 3741/4885PRMT1 497/4885KMT2A 2445/4885

“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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