SCHEMBL24030236

SCHEMBL24030236

CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY6K Q17RY6 2/20 1.00
RAD52 P43351 5/20 0.81
NCOA3 Q9Y6Q9 1/20 0.81
KDM1A O60341 3/20 0.79
GLA P06280 2/20 0.79
TOP2B Q02880 2/20 0.79
CYP1A2 P05177 2/20 0.79
CYP2D6 P10635 2/20 0.79
CYP2C9 P11712 2/20 0.79
CASP1 P29466 2/20 0.79
CASP7 P55210 2/20 0.79
HSD17B10 Q99714 2/20 0.79
OPRD1 P41143 2/20 0.79
SLC22A1 O15245 1/20 0.79
ABCC4 O15439 1/20 0.79
NR1I2 O75469 1/20 0.79
TP53 P04637 1/20 0.79
CYP3A4 P08684 1/20 0.79
CHRM1 P11229 1/20 0.79
TOP1 P11387 1/20 0.79

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
SCHEMBL22401407 0.97 LY6K (0.94) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL28336991 0.88 TOP2B (1.00) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL29350869 0.88 TOP2B (1.00) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL6256280 0.88 TOP2B (1.00) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL29360354 0.88 TOP2B (1.00) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL4047 0.88 TOP2B (1.00) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL31316257 0.87 KMT2A (1.00) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL1320825 0.87 KMT2A (1.00) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL31237896 0.86 TOP2B (0.95) LY6KRAD52NCOA3KDM1AGLA
Amsacrine SCHEMBL2920983 0.86 TOP2B (0.95) LY6KRAD52NCOA3KDM1AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210841-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-06 US disclosed
US-20230210841-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-06 US disclosed
WO-2021231893-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2021-11-18 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 (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-20230210841-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME LY6K, CD74, LY96 LY6K 1/4885RAD52 2845/4885NCOA3 743/4885

“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.