SCHEMBL17430268

SCHEMBL17430268

CC1(C)OB(c2ccc3c(c2)C(c2ccnc(F)c2)=NC3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 8/20 0.39
▸ LIPG Q9Y5X9 8/20 0.39
▸ ROCK1 Q13464 1/20 0.35
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31
▸ PDGFRB P09619 2/20 0.30
▸ KDR P35968 2/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 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
SCHEMBL17430361 0.86 LPL (0.34) LPLLIPGBACE1EGFRPARP10
SCHEMBL17430291 0.80 LRRK2 (0.39) —
SCHEMBL29381650 0.75 LPL (0.47) LPLLIPGROCK1EGFRIDO1
SCHEMBL613614 0.75 LPL (0.47) LPLLIPGROCK1EGFRIDO1
SCHEMBL17430266 0.75 IDO1 (0.34) IDO1PARP10PARP11
SCHEMBL17430297 0.75 ADORA2B (0.39) BACE1IDO1PARP10PARP11
SCHEMBL22820672 0.72 PDGFRB (0.53) LPLLIPGPDGFRBKDR
SCHEMBL17430300 0.72 LMNA (0.43) ROCK1
SCHEMBL17430279 0.72 KCNJ1 (0.34) IDO1PARP10PARP11
SCHEMBL17430323 0.72 IDO1 (0.35) BACE1IDO1PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 — — 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 (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-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 LPL 836/4885LIPG 1941/4885ROCK1 553/4885

“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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