SCHEMBL5021086

SCHEMBL5021086

COCCn1cc(N)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.34
FRK P42685 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1D P48730 1/20 0.34
SLK Q9H2G2 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
JAK2 O60674 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
IKBKB O14920 1/20 0.32
MPO P05164 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
RECQL P46063 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
SCHEMBL24706812 0.89 CDK9 (0.34) LRRK2CYP1A2ALDH1A1JAK2KMT2A
SCHEMBL1462172 0.83 MAP4K4 (0.35) LRRK2CYP1A2MAP4K4EGFRFRK
SCHEMBL15703071 0.82 CYP1A2 (0.41) LRRK2CYP1A2MAP4K4EGFRFRK
SCHEMBL19010742 0.80 LRRK2 (0.41) LRRK2CYP1A2MAP4K4EGFRFRK
SCHEMBL20555379 0.80 LRRK2 (0.44) LRRK2
SCHEMBL1663078 0.79 RECQL (0.37) CYP1A2ALDH1A1MEN1KMT2ARECQL
SCHEMBL21761958 0.78 LRRK2 (0.39) LRRK2CYP1A2MAP4K4EGFRFRK
SCHEMBL31667130 0.78 LRRK2 (0.40) LRRK2CYP1A2MAP4K4EGFRFRK
SCHEMBL31105901 0.78 MEN1 (0.36) LRRK2CYP1A2MAP4K4EGFRFRK
SCHEMBL15651764 0.77 NOS2 (0.33) RECQLADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 EP disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 WO disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 WO disclosed
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
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
EP-3036231-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LTD (IN) 2020-02-26 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 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 (4 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 LRRK2 1/4885CYP1A2 4774/4885MAP4K4 375/4885
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 LRRK2 2904/4885CYP1A2 592/4885MAP4K4 362/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885CYP1A2 3177/4885MAP4K4 463/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LRRK2 1/4885CYP1A2 3709/4885MAP4K4 169/4885

“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.