SCHEMBL29520805

SCHEMBL29520805

c1ccc2c(c1)cnn2N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.38
PIK3CB P42338 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 4/20 0.35
GSK3B P49841 4/20 0.35
PRKCB P05771 1/20 0.35
CDK1 P06493 1/20 0.35
PRKCA P17252 1/20 0.35

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
SCHEMBL29521056 0.84 RECQL (0.41) LRRK2LMNAPOLBRECQLTSHR
SCHEMBL5215315 0.84 RECQL (0.41) LRRK2LMNAPOLBRECQLTSHR
SCHEMBL10500232 0.84 RECQL (0.41) LRRK2LMNAPOLBRECQLTSHR
SCHEMBL9833133 0.82 RECQL (0.40) LRRK2POLBRECQLTSHRNPSR1
SCHEMBL8470553 0.79 HTR2C (0.41) LMNARECQLHTTTSHRCYP2D6
SCHEMBL29521086 0.79 HTR2C (0.41) LMNARECQLHTTTSHRCYP2D6
SCHEMBL29520731 0.79 RECQL (0.38) LRRK2POLBRECQLTSHRNPSR1
Hydrochloric Acid SCHEMBL10583863 0.78 ADRA2A (0.41) LMNARECQLHTTTSHRCYP2D6
SCHEMBL29539283 0.76 LRRK2 (0.39) LRRK2CYP11B2TSHRNPSR1PDE10A
SCHEMBL31190755 0.72 RECQL (0.38) LRRK2LMNARECQLCYP11B2TSHR

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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same 1ST Biotherapeutics, Inc. (KR) 2023-05-16 US disclosed
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME 1ST Biotherapeutics, Inc. 2022-03-31 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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same IP6K1, HIPK1, IP6K3 LRRK2 1506/4885LMNA 3415/4885POLB 1761/4885
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME IP6K1, HIPK1, IP6K3 LRRK2 1506/4885LMNA 3415/4885POLB 1761/4885

“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.