SCHEMBL10129937

SCHEMBL10129937

CCc1cc(C(C)C)nn1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
GAA P10253 1/20 0.31
DHFR P00374 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL23736428 0.86 LRRK2 (0.33) LRRK2
SCHEMBL17196430 0.83 LRRK2 (0.32) LRRK2
SCHEMBL24570658 0.81 ALDH1A1 (0.32) GAA
SCHEMBL22404363 0.79 BCHE (0.32)
SCHEMBL10141579 0.78 ADORA2A (0.35)
SCHEMBL21209265 0.78 BCHE (0.31) GAA
SCHEMBL10141571 0.78 RIPK1 (0.34)
SCHEMBL26207419 0.77
SCHEMBL24956529 0.74 HTT (0.37) GAA
SCHEMBL8225930 0.73 HPGD (0.40) LRRK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566007-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-01-31 US disclosed
US-20210130303-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 US disclosed
WO-2020043638-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) MERCK PATENT GMBH (DE) 2020-03-05 WO disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2017-09-14 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-9676759-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-13 US disclosed
US-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-02-06 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE MSD K.K. (JP) 2012-02-02 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 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 (9 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-20140038936-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LRRK2 413/4885GAA 551/4885DHFR 2875/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LRRK2 413/4885GAA 551/4885DHFR 2875/4885
US-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 LRRK2 848/4885GAA 1736/4885DHFR 1312/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LRRK2 413/4885GAA 551/4885DHFR 2875/4885
US-20120028970-A1 HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE AR, NR5A1, ARL1 LRRK2 117/4885GAA 3960/4885DHFR 3075/4885
US-11566007-B2 Ras inhibitors KRAS, NRAS, HRAS LRRK2 350/4885GAA 2164/4885DHFR 2079/4885
US-20210130303-A1 RAS INHIBITORS KRAS, NRAS, HRAS LRRK2 350/4885GAA 2164/4885DHFR 2079/4885
US-20170260175-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 LRRK2 413/4885GAA 551/4885DHFR 2875/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 LRRK2 636/4885GAA 1455/4885DHFR 608/4885

“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.