SCHEMBL21789413

SCHEMBL21789413

Cc1cnc(OC(C)(C)C)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KCNH2 Q12809 1/20 0.33
APLNR P35414 1/20 0.32
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
RXRA P19793 3/20 0.31
GRIN1 Q05586 3/20 0.31

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
SCHEMBL3822740 0.80 GAA (0.48) GAANPSR1ATMMEN1KMT2A
SCHEMBL26151641 0.78 GAA (0.47) GAANPSR1ATMMEN1KMT2A
SCHEMBL22778721 0.78 GAA (0.47) GAANPSR1ATMMEN1KMT2A
SCHEMBL2614505 0.78 RXRA (0.42) GAAMEN1KMT2ACCR1CCR5
SCHEMBL18444813 0.78 GAA (0.57) GAANPSR1ATMMEN1KMT2A
SCHEMBL25097619 0.78 GAA (0.47) GAANPSR1ATMMEN1KMT2A
SCHEMBL22778842 0.78 ALDH1A1 (0.32) GAAALDH1A1RXRAGRIN1GRIN2B
SCHEMBL22778731 0.74 RXRA (0.30) GAAKDM4ERXRAGRIN1GRIN2B
SCHEMBL22778800 0.74 RXRA (0.30) GAAKDM4ERXRAGRIN1GRIN2B
SCHEMBL4269602 0.74 GAA (0.42) GAANPSR1ATMMEN1KMT2A

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 12 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-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
WO-2023083343-A1 POLYCYCLIC COMPOUNDS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2023-05-19 WO disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-03-05 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 (9 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-20200071301-A1 Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders CFD, TFPI, CFH GAA 2755/4885NPSR1 1614/4885ATM 2772/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH GAA 1549/4885NPSR1 1220/4885ATM 3447/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH GAA 1549/4885NPSR1 1220/4885ATM 3447/4885
US-20220396563-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH GAA 1549/4885NPSR1 1220/4885ATM 3447/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH GAA 1827/4885NPSR1 1094/4885ATM 3716/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH GAA 1549/4885NPSR1 1220/4885ATM 3447/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH GAA 2175/4885NPSR1 2384/4885ATM 2998/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B GAA 82/4885NPSR1 4795/4885ATM 2226/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH GAA 1765/4885NPSR1 3063/4885ATM 1786/4885

“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.