SCHEMBL2838241

SCHEMBL2838241

Cc1cc(Br)cnc1OC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.42
BRD4 O60885 4/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
SYK P43405 1/20 0.37
PIK3CA P42336 2/20 0.36
PDE10A Q9Y233 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL2839113 0.91 LRRK2 (0.44) LRRK2BRD4IRAK4PIK3CA
SCHEMBL19127659 0.86 LRRK2 (0.38) LRRK2
SCHEMBL19127901 0.86 LRRK2 (0.38) LRRK2BRD4
SCHEMBL17594827 0.84 IRAK4 (0.38) LRRK2IRAK4PIK3CAOPRK1
SCHEMBL20269371 0.82 IRAK4 (0.37) LRRK2IRAK4PIK3CAOPRK1
SCHEMBL16094976 0.82 ALOX5AP (0.37) LRRK2IRAK4PIK3CAOPRK1
SCHEMBL28329731 0.82 ALOX5AP (0.40) LRRK2RAF1BRAFIRAK4PIK3CA
SCHEMBL25932085 0.81 LRRK2 (0.43) LRRK2
SCHEMBL612648 0.79 PIK3CA (0.46) PIK3CA
SCHEMBL21190907 0.79 LRRK2 (0.42) LRRK2BRD4RAF1BRAFIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131271-A1 PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2023-07-13 WO disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 LRRK2 623/4885BRD4 1550/4885RAF1 3108/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 LRRK2 623/4885BRD4 1550/4885RAF1 3108/4885

“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.