SCHEMBL22401407

SCHEMBL22401407

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

nearest known ligand 0.94

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.78
DRD2 known ✓ P14416 1/20 0.78
ADRA2B known ✓ P18089 1/20 0.78
ADRA2C known ✓ P18825 1/20 0.78
HTR3A known ✓ P46098 1/20 0.78
LY6K Q17RY6 2/20 0.94
RAD52 P43351 4/20 0.86
NCOA3 Q9Y6Q9 1/20 0.86
TOP2B Q02880 4/20 0.78
KDM1A O60341 3/20 0.78
TOP2A P11388 3/20 0.78
GLA P06280 2/20 0.78
CYP1A2 P05177 2/20 0.78
CYP2D6 P10635 2/20 0.78
CYP2C9 P11712 2/20 0.78
CASP1 P29466 2/20 0.78
CASP7 P55210 2/20 0.78
HSD17B10 Q99714 2/20 0.78
SLC22A1 O15245 1/20 0.78
ABCC4 O15439 1/20 0.78

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
SCHEMBL24030236 0.97 LY6K (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL31237896 0.90 TOP2B (0.95) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL28336991 0.88 TOP2B (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL29350869 0.88 TOP2B (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL6256280 0.88 TOP2B (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL4047 0.88 TOP2B (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL29360354 0.88 TOP2B (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL31316257 0.87 KMT2A (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL1320825 0.87 KMT2A (1.00) LY6KRAD52NCOA3TOP2BKDM1A
Amsacrine SCHEMBL8206192 0.86 TOP2B (0.82) LY6KRAD52NCOA3TOP2BKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263382-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME HENRY M JACKSON FOUND ADVANCEMENT MILITARY MEDICINE INC (US) 2025-08-21 US disclosed
US-12134601-B2 Compounds for inhibiting LY6K and methods of using same THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2024-11-05 US disclosed
US-20210009522-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2021-01-14 US disclosed
EP-3707127-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc. (US) 2020-09-16 EP 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 (3 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-20250263382-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME LY6K, CCL2, CD74 CHRM1 4816/4885DRD2 4430/4885ADRA2B 4331/4885
US-12134601-B2 Compounds for inhibiting LY6K and methods of using same LY6K, CCL2, CXCL10 CHRM1 4816/4885DRD2 4416/4885ADRA2B 3876/4885
US-20210009522-A1 COMPOUNDS FOR INHIBITING LY6K AND METHODS OF USING SAME LY6K, CCL2, CXCL10 CHRM1 4816/4885DRD2 4416/4885ADRA2B 3876/4885

“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.