SCHEMBL6464808

SCHEMBL6464808

N#Cc1cccc2nccc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.50
PARP1 P09874 1/20 0.38
PSMB8 P28062 3/20 0.37
MAP2K1 Q02750 1/20 0.37
PSMB5 P28074 1/20 0.37
SRC P12931 2/20 0.36
HTT P42858 1/20 0.35
PREP P48147 2/20 0.35
CYP11B2 P19099 1/20 0.35
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL22554335 0.79 MAP2K1 (0.37) LRRK2MAP2K1HTTPREPDYRK1A
SCHEMBL29404834 0.78 PARP1 (0.50) LRRK2PARP1ALDH1A1
SCHEMBL6465602 0.78 PARP1 (0.50) LRRK2PARP1ALDH1A1
SCHEMBL26606971 0.75 PSMB8 (0.40) PSMB8MAP2K1PSMB5SRCHTT
SCHEMBL26317702 0.75 RAF1 (0.45) MAP2K1SRCDYRK1AALDH1A1
SCHEMBL25820084 0.72 ALOX5AP (0.37) LRRK2MAP2K1PREPALDH1A1TDP1
SCHEMBL2221871 0.72 PDPK1 (0.52) LRRK2PARP1ALDH1A1
SCHEMBL9984695 0.72 PARP1 (0.44) PARP1ALDH1A1
SCHEMBL8603889 0.72 PARP1 (0.44) PARP1SRCALDH1A1
SCHEMBL25445733 0.71 HTT (0.42) LRRK2MAP2K1HTTDYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
WO-2025090465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-05-01 WO disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
US-6977259-B2 Quinoline derivatives and their use as aurora 2 kinase inhibitors ASTRAZENECA AB (SE) 2005-12-20 US disclosed
US-20030105129-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-06-05 US disclosed
EP-1294709-A2 QUINOLINE DERIVATIVES AND THEIR USE AS AURORA 2 KINASE INHIBITORS AstraZeneca AB (SE) 2003-03-26 EP disclosed
WO-2001055116-A2 QUINOLINE DERIVATIVES AND THEIR USE AS AURORA 2 KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-02 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 (5 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR LRRK2 500/4885PARP1 2894/4885PSMB8 1661/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 LRRK2 1774/4885PARP1 4358/4885PSMB8 3942/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 LRRK2 1774/4885PARP1 4358/4885PSMB8 3942/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 LRRK2 1774/4885PARP1 4358/4885PSMB8 3942/4885
US-20030105129-A1 Chemical compounds AURKC, AURKA, AURKB LRRK2 2720/4885PARP1 2150/4885PSMB8 3839/4885

“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.