SCHEMBL24916396

SCHEMBL24916396

COc1ccc2c(Cl)ncc(C(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
P2RX3 P56373 2/20 0.41
P2RX2 Q9UBL9 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
CYP17A1 P05093 3/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DYRK3 O43781 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
SCHEMBL24916401 0.82 P2RX3 (0.42) DYRK1AP2RX3P2RX2KDM4EALDH1A1
SCHEMBL24916397 0.82 P2RX3 (0.42) DYRK1AP2RX3P2RX2KDM4EALDH1A1
SCHEMBL1536440 0.81 PLAU (0.46) DYRK1AKDM4EALDH1A1LMNAHPGD
SCHEMBL13729538 0.80 DYRK1A (0.43) DYRK1AKDM4EALDH1A1LMNAHPGD
SCHEMBL10304674 0.80 DYRK1A (0.43) DYRK1AKDM4EALDH1A1LMNAHPGD
SCHEMBL1536565 0.80 DYRK1A (0.43) DYRK1AKDM4EALDH1A1LMNAHPGD
SCHEMBL15685810 0.79 DYRK1A (0.42) DYRK1AKDM4EALDH1A1LMNAHPGD
SCHEMBL15647724 0.79 ALDH1A1 (0.44) DYRK1AKDM4EALDH1A1LMNAHPGD
SCHEMBL13728895 0.79 DYRK1A (0.42) DYRK1AKDM4EALDH1A1LMNAHPGD
SCHEMBL13728377 0.79 DYRK1A (0.42) DYRK1AKDM4EALDH1A1LMNAHPGD

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 DYRK1A 2337/4885P2RX3 3671/4885P2RX2 3727/4885

“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.