Sugi Predict

Sugi Predict / Compounds / SCHEMBL21562913

SCHEMBL21562913

SCHEMBL21562913

CCOC(=O)C(C)(C)Cn1cc2c(n1)CCC(=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 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
SCHEMBL21562909 0.88 KMT2A (0.39) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL23646987 0.83 KMT2A (0.38) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL23646988 0.83 KMT2A (0.38) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL21562908 0.77 GAA (0.43) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL21562906 0.77 GAA (0.43) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL21562911 0.76 HDAC9 (0.39) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL12643258 0.74 HTT (0.38) KMT2AALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL21549935 0.74 GAA (0.42) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL21549918 0.73 GAA (0.42) KMT2AALDH1A1ATMSMN1; SMN2GAA
SCHEMBL23647000 0.73 KMT2A (0.36) KMT2AALDH1A1ATMSMN1; SMN2GAA

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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 — — US disclosed
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 — — US disclosed
CN-112638883-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-04-09 — — CN disclosed
WO-2019214610-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2019-11-14 — — 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 KMT2A 3615/4885ALDH1A1 1457/4885ATM 3660/4885

“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.