SCHEMBL25946255

SCHEMBL25946255

CC(C)(C)c1cc(C(N)=O)cc(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
LTK P29376 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
CLK2 P49760 1/20 0.38
CDK5 Q00535 1/20 0.38
ACVR1 Q04771 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PARP1 P09874 2/20 0.35
DHODH Q02127 1/20 0.33
IKBKB O14920 1/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL25951737 0.84 ALOX15 (0.41) TSHRLMNAKDM4EMAPTPOLB
SCHEMBL25928593 0.84 CA5A (0.38) HTTLMNAKDM4EMAPTL3MBTL1
SCHEMBL1579179 0.80 PARP1 (0.45) HTTTSHRAPOBEC3AAPOBEC3GPARP1
SCHEMBL29177315 0.80 CDK8 (0.49) AURKACSF1RRETLTKCSNK1A1
SCHEMBL29739565 0.80 CDK8 (0.49) AURKACSF1RRETLTKCSNK1A1
SCHEMBL25938666 0.76 HTT (0.40) AURKACSF1RRETLTKCSNK1A1
SCHEMBL3118332 0.76 POLB (0.43) HTTTSHRAPOBEC3AAPOBEC3GPARP1
SCHEMBL18920314 0.73 ALDH1A1 (0.52) HTTTSHRAPOBEC3AAPOBEC3GPARP1
SCHEMBL30824100 0.71 AR (0.38) HTTTSHRAPOBEC3AAPOBEC3GPARP1
SCHEMBL29136308 0.71 AR (0.38) HTTTSHRAPOBEC3AAPOBEC3GPARP1

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-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH AURKA 2750/4885CSF1R 1135/4885RET 2168/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH AURKA 2983/4885CSF1R 1242/4885RET 2682/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH AURKA 2983/4885CSF1R 1242/4885RET 2682/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH AURKA 2822/4885CSF1R 815/4885RET 1704/4885

“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.