SCHEMBL25930266

SCHEMBL25930266

Cc1cc(Br)cc2c(I)nn(CC(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KRAS P01116 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
LCK P06239 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
AAK1 Q2M2I8 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
CASP3 P42574 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FPR2 P25090 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL25930237 0.88 KDM4E (0.36) KDM4EALDH1A1KRASJAK2JAK1
SCHEMBL28880706 0.85 HDAC6 (0.35) KDM4EALDH1A1JAK2JAK1JAK3
SCHEMBL30207179 0.85 CFD (0.33) KDM4EALDH1A1JAK2JAK1JAK3
SCHEMBL21752293 0.85 CFD (0.33) KDM4EALDH1A1JAK2JAK1JAK3
SCHEMBL20487380 0.83 LMNA (0.43) KDM4EALDH1A1KRAS
SCHEMBL25930787 0.83 HDAC6 (0.34) KDM4EALDH1A1JAK2JAK1JAK3
SCHEMBL26679679 0.83 ALDH1A1 (0.34) KDM4EALDH1A1JAK2JAK1JAK3
SCHEMBL18953595 0.80 KDM4E (0.41) KDM4EALDH1A1KRASCASP3FPR2
SCHEMBL29855453 0.79 KRAS (0.31) KDM4EALDH1A1KRAS
SCHEMBL29868622 0.77 KDM4E (0.41) KDM4EALDH1A1KRASJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
CN-110603252-A Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders 艾其林医药公司 2019-12-20 CN 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH KDM4E 3553/4885ALDH1A1 2338/4885KRAS 858/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH KDM4E 3553/4885ALDH1A1 2338/4885KRAS 858/4885

“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.