SCHEMBL22174752

SCHEMBL22174752

CC(C)(C)OC(=O)NCCNc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
LATS1 O95835 1/20 0.43
MAPKAPK2 P49137 3/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL19490770 0.85 MALT1 (0.48) BCHEMALT1ALOX5APFEN1STK17B
SCHEMBL3201557 0.85 MALT1 (0.50) BCHEMALT1CA1CA2CA12
SCHEMBL25375255 0.84 BCHE (0.46) BCHEMALT1STK17BSTK17ACA1
SCHEMBL8250962 0.83 KMT2A (0.51) BCHEMALT1STK17BSTK17ALATS1
SCHEMBL27260537 0.83 P4HTM (0.50) BCHEMALT1STK17BSTK17ACA1
SCHEMBL24205509 0.83 BCHE (0.46) BCHEMALT1ALOX5APFEN1STK17B
SCHEMBL14623867 0.81 MALT1 (0.46) BCHEMALT1ALOX5APFEN1STK17B
SCHEMBL22644748 0.80 MALT1 (0.51) BCHEMALT1CA1CA2CA12
SCHEMBL31190971 0.80 NAMPT (0.51) CA1CA12CA9MAPKAPK2
SCHEMBL20878669 0.80 MTNR1A (0.48) ALOX5APFEN1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2022012492-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2022-01-20 WO disclosed
US-20210122754-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RIBOCICLIB SUCCINATE AND ITS NOVEL CRYSTALLINE FORMS THEREOF NATCO PHARMA LTD (IN) 2021-04-29 US disclosed
WO-2020140054-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 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 (2 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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK BCHE 4433/4885MALT1 469/4885ALOX5AP 2635/4885
US-20210122754-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RIBOCICLIB SUCCINATE AND ITS NOVEL CRYSTALLINE FORMS THEREOF RRM2B, CPS1, RRBP1 BCHE 4867/4885MALT1 713/4885ALOX5AP 4097/4885

“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.