SCHEMBL19251863

SCHEMBL19251863

C#CCNC(=O)c1ccc(C(C)(C)C)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CLK1 P49759 2/20 0.41
CLK2 P49760 2/20 0.41
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
BTK Q06187 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL18704424 0.87 CA12 (0.55) CA1CA2CA12CA9CA14
SCHEMBL15215455 0.83 CA12 (0.46) CA12CA9CLK1CLK2KDM4E
SCHEMBL12364904 0.83 CA1 (0.40) CA1CA2CA12CA9CA14
SCHEMBL24426198 0.82 KDM4E (0.42) CA1CA2CLK1CLK2KDM4E
SCHEMBL14615901 0.81 KDM4E (0.54) CA2KDM4ESMN1; SMN2RAB9AL3MBTL1
SCHEMBL20249181 0.81 MMP13 (0.49) CA1CA2CA12CA9CA14
SCHEMBL14996248 0.80 KDM4E (0.61) CA1CA2CA12CA9CA14
SCHEMBL31280187 0.80 KDM4E (0.61) CA1CA2CA12CA9CA14
SCHEMBL19886206 0.79 MLYCD (0.52) CLK1CLK2KDM4ENAMPT
SCHEMBL17670950 0.79 L3MBTL1 (0.58) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2022-07-07 US disclosed
US-11339141-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2021-01-07 US disclosed
US-10640485-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2020-05-05 US disclosed
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2019-04-25 US disclosed
EP-3416638-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2018-12-26 EP disclosed
US-10138219-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS (US) 2018-11-27 US disclosed
WO-2017143291-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2017-08-24 WO disclosed
US-20170240525-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2017-08-24 US 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 (7 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-20170240525-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA1 2828/4885CA2 3501/4885CA12 3754/4885
US-11339141-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CA1 2828/4885CA2 3501/4885CA12 3754/4885
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA1 2828/4885CA2 3501/4885CA12 3754/4885
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA1 2828/4885CA2 3501/4885CA12 3754/4885
US-10640485-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CA1 2828/4885CA2 3501/4885CA12 3754/4885
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CA1 2828/4885CA2 3501/4885CA12 3754/4885
US-10138219-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CA1 2828/4885CA2 3501/4885CA12 3754/4885

“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.