SCHEMBL25690441

SCHEMBL25690441

CCCCn1nc(Br)c2cnc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.34
MERTK Q12866 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ATM Q13315 2/20 0.33
LRRK2 Q5S007 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NR1H3 Q13133 1/20 0.32
NPC1 O15118 1/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL30394182 0.86 MERTK (0.35) MPOMERTKADORA2AADORA2BADORA1
SCHEMBL25176721 0.86 MERTK (0.35) MPOMERTKADORA2AADORA2BADORA1
SCHEMBL25690422 0.85 MPO (0.35) MPOMEN1CYP1A2MAPTKMT2A
SCHEMBL31465510 0.80 ADORA2A (0.36) MEN1CYP1A2KMT2AMERTKADORA2A
SCHEMBL25176561 0.79 DUT (0.36) TNK2
SCHEMBL30968152 0.77 PDE2A (0.39) CYP1A2KMT2A
SCHEMBL25690433 0.76 LRRK2 (0.35) MEN1MAPTKMT2AATMLRRK2
SCHEMBL30095837 0.72 PDE2A (0.39)
SCHEMBL2804826 0.72 PDE2A (0.39)
SCHEMBL25167836 0.71 MERTK (0.37) MERTKLRRK2TNK2

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-11780851-B2 LRRK2 inhibitors H. LUNDBECK A/S (DK) 2023-10-10 US disclosed
US-20230144725-A1 LRRK2 INHIBITORS H. LUNDBECK A/S (DK) 2023-05-11 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-11780851-B2 LRRK2 inhibitors LRRK2, PARK7, PINK1 MPO 3747/4885MEN1 3752/4885CYP1A2 4261/4885
US-20230144725-A1 LRRK2 INHIBITORS LRRK2, PARK7, PINK1 MPO 3747/4885MEN1 3752/4885CYP1A2 4261/4885

“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.