SCHEMBL17426480

SCHEMBL17426480

OBOc1ccnc(N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.54
▸ MAPK13 O15264 1/20 0.47
▸ LRRK2 Q5S007 9/20 0.44
▸ CYP2C19 P33261 1/20 0.42
▸ KMO O15229 1/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ SMG1 Q96Q15 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL17310231 0.80 LRRK2 (0.62) PIK3CAMAPK13LRRK2CYP2C19PIK3CD
SCHEMBL28664080 0.79 PIK3CA (0.54) PIK3CAMAPK13LRRK2CYP2C19KMO
SCHEMBL15145216 0.78 PIK3CA (0.63) PIK3CAMAPK13LRRK2CYP2C19KMO
SCHEMBL19034812 0.77 PIK3CA (0.57) PIK3CAMAPK13LRRK2CYP2C19KMO
SCHEMBL247930 0.76 PIK3CA (0.64) PIK3CAMAPK13LRRK2CYP2C19KMO
SCHEMBL171298 0.75 MAPK13 (0.55) PIK3CAMAPK13LRRK2CYP2C19PIK3CD
SCHEMBL16021772 0.73 ALDH1A1 (0.47) PIK3CAPIK3CDHTTSMN1; SMN2KDM4E
SCHEMBL27936855 0.73 LRRK2 (0.59) PIK3CALRRK2CYP2C19KMOPIK3CD
SCHEMBL12639899 0.72 PIK3CA (0.76) PIK3CAMAPK13KMOKDM4EALDH1A1
SCHEMBL18616062 0.71 LRRK2 (0.59) PIK3CAMAPK13LRRK2MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-05-11 — — US disclosed
US-9718818-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-9688654-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2017-06-27 — — US disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 — — US disclosed
US-20160200722-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-07-14 — — US disclosed
US-20160009681-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 — — US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 — — 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 (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-20160200722-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LMTK2 PIK3CA 869/4885MAPK13 392/4885LRRK2 1/4885
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 PIK3CA 752/4885MAPK13 410/4885LRRK2 1/4885
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 PIK3CA 445/4885MAPK13 1647/4885LRRK2 497/4885
US-20160009681-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, PARK7, PINK1 PIK3CA 764/4885MAPK13 322/4885LRRK2 1/4885

“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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