SCHEMBL24915957

SCHEMBL24915957

COc1cc(N2CCN(C(C)=O)CC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.45
CLK1 P49759 1/20 0.44
KRAS P01116 1/20 0.42
SOS1 Q07889 1/20 0.42
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
BAP1 Q92560 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTR1A P08908 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL24915958 0.85 ELANE (0.43) LRRK2HTR1ANCF1DRD3
SCHEMBL24915985 0.83 HTR1A (0.42) KRASSOS1HTR1A
SCHEMBL24915840 0.82 MTNR1B (0.46) LRRK2LMNATP53POLBALOX15
SCHEMBL24915954 0.82 PRKDC (0.46) LRRK2GAAKDM4EHTR1AALDH1A1
SCHEMBL24915959 0.80 LRRK2 (0.45) LRRK2KRASSOS1HTR1A
SCHEMBL24915981 0.79 HTR1A (0.38) HSD17B10TSHRKMT2AKDM4EHTR1A
SCHEMBL24915955 0.76 ALDH1A1 (0.44) HSD17B10TP53GAATSHRKMT2A
SCHEMBL24915862 0.76 HPGD (0.46) HSD17B10TP53POLBGAATSHR
SCHEMBL24915853 0.73 LMNA (0.50) HSD17B10LMNAPOLBGAATSHR
SCHEMBL24916219 0.70 PDE10A (0.41) HSD17B10ALOX15KMT2AKDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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 (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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 LRRK2 560/4885CLK1 1955/4885KRAS 1236/4885

“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.