SCHEMBL21962329

SCHEMBL21962329

CC(C)c1ncnc(C(C)C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
LMNA P02545 1/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
NPR3 P17342 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL20698724 0.77 MTNR1A (0.32) LMNAMTNR1AMTNR1BCYP2D6
SCHEMBL21962165 0.75 KDM4E (0.36) CYP1A2CYP3A4CYP2C19KDM4EALDH1A1
SCHEMBL23319812 0.74 CCNB2 (0.35) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL24758783 0.74 MTNR1A (0.40) MTNR1AMTNR1BCYP1A2KDM4EALDH1A1
SCHEMBL508223 0.74 P2RX7 (0.44) LMNAKDM4ECYP2D6
SCHEMBL3912453 0.74 P2RX7 (0.41) CYP2D6GAA
SCHEMBL19508030 0.72 GABRA1 (0.47) LMNAMTNR1AMTNR1BCYP1A2CYP3A4
SCHEMBL20698993 0.72 MTNR1A (0.36) LMNAMTNR1AMTNR1BCYP1A2KDM4E
SCHEMBL23692192 0.72 CCNB2 (0.34) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL22014869 0.71 MTNR1A (0.33) MTNR1AMTNR1B

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CCNB2 4721/4885CCNE2 4844/4885CDK1 4423/4885

“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.