SCHEMBL21496911

SCHEMBL21496911

CN(C)C(=O)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.54
JAK2 O60674 2/20 0.54
CDC7 O00311 1/20 0.47
JAK1 P23458 1/20 0.45
DYRK1A Q13627 3/20 0.45
FLT3 P36888 2/20 0.45
DCLK1 O15075 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
CSF1R P07333 1/20 0.45
FER P16591 1/20 0.45
CDK2 P24941 1/20 0.45
MARK3 P27448 1/20 0.45
FLT4 P35916 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK1G2 P78368 1/20 0.45

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
SCHEMBL11970499 0.88 JAK1 (0.54) PDPK1JAK2CDC7JAK1DYRK1A
SCHEMBL17608428 0.86 PDPK1 (0.49) PDPK1JAK2CDC7DYRK1AFLT3
SCHEMBL16910325 0.83 CDC7 (0.48) CDC7JAK1DYRK1AFLT3AXL
SCHEMBL9436096 0.83 PDPK1 (0.59) PDPK1JAK2DYRK1AFLT3DCLK1
SCHEMBL4295771 0.82 CDC7 (0.47) CDC7JAK1DYRK1AFLT3CLK2
SCHEMBL260615 0.81 PDPK1 (0.61) PDPK1JAK2DYRK1AFLT3DCLK1
SCHEMBL17039120 0.80 JAK2 (0.64) PDPK1JAK2JAK1DYRK1AFLT3
SCHEMBL13386937 0.79 YTHDC1 (0.63) PDPK1JAK2JAK1DYRK1AFLT3
SCHEMBL4291226 0.79 KDM4E (0.63) PDPK1JAK2CDC7DYRK1AFLT3
SCHEMBL1596970 0.78 FLT3 (0.64) CDC7JAK1FLT3CDK2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-11731953-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 US disclosed
EP-4168411-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-23 US disclosed
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2019204505-A2 K-RAS MODULATORS WITH A VINYL SULFONAMIDE MOIETY THERAS, INC. (US) 2019-10-24 WO disclosed
WO-2019204505-A2 K-RAS MODULATORS WITH A VINYL SULFONAMIDE MOIETY THERAS, INC. (US) 2019-10-24 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 (3 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-20230056253-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS PDPK1 1391/4885JAK2 3815/4885CDC7 142/4885
US-11731953-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS PDPK1 1391/4885JAK2 3815/4885CDC7 142/4885
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF C9, C5, C1QBP PDPK1 1003/4885JAK2 1396/4885CDC7 2957/4885

“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.