SCHEMBL3345810

SCHEMBL3345810

COC(=O)c1cc(Br)cnc1OC(C)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
RORC P51449 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
OPRK1 P41145 11/20 0.41
AXL P30530 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL3346061 0.88 LRRK2 (0.45) LRRK2RORCKDM4EALDH1A1NOX1
SCHEMBL3344570 0.83 RORC (0.41) LRRK2RORCKDM4EALDH1A1GLA
SCHEMBL3348525 0.78 RORC (0.38) LRRK2RORCKDM4EALDH1A1GLA
SCHEMBL22770945 0.78 OPRK1 (0.44) HSD17B10OPRK1MAPK1
SCHEMBL3345812 0.76 PIM1 (0.43) HSD17B10KDM4EALDH1A1GLAGAA
SCHEMBL29457453 0.75 OPRK1 (0.49) HSD17B10OPRK1
SCHEMBL757419 0.75 OPRK1 (0.49) HSD17B10OPRK1
SCHEMBL25009349 0.70 OPRK1 (0.47) KDM4EOPRK1MAPK1
SCHEMBL3448875 0.70 RORC (0.42) LRRK2RORCALDH1A1NOX1
SCHEMBL3348625 0.70 CNR2 (0.50) HSD17B10OPRK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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 (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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD LRRK2 4031/4885RORC 321/4885HSD17B10 1121/4885

“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.