SCHEMBL25529256

SCHEMBL25529256

O=C(O)c1c2n(cc(-c3cccs3)c1=O)CCOC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
RIPK1 Q13546 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
NPC1 O15118 1/20 0.37
PLAUR Q03405 2/20 0.37
PRKDC P78527 5/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3CD O00329 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL30174188 0.90 TSHR (0.45) ALOX5RIPK1CYP1A2CYP3A4CYP2C9
SCHEMBL25529254 0.81 RIPK1 (0.38) RIPK1PRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL25529251 0.81 PTGS2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL25529253 0.80 GRIN2B (0.33) PIK3CAPIK3CBPIK3CGPIK3CDKDM4E
SCHEMBL25229526 0.78 ALOX5 (0.42) ALOX5CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL25529250 0.78 RIPK1 (0.36) RIPK1CYP1A2CYP3A4TSHRPRKDC
SCHEMBL25529260 0.75 SMN1; SMN2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL26967947 0.73 HDAC3 (0.32)
SCHEMBL26967898 0.73 SCN9A (0.32)
SCHEMBL27218044 0.72 PSMB5 (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 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 (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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX ALOX5 2532/4885RIPK1 536/4885CYP1A2 3806/4885

“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.