SCHEMBL19251962

SCHEMBL19251962

C#CCNC(=O)Nc1ccc(C(C)(C)C#N)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
CHRNA7 P36544 1/20 0.39
BRAF P15056 6/20 0.38
CYP2C9 P11712 3/20 0.38
USP30 Q70CQ3 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
NAMPT P43490 2/20 0.37
RORC P51449 1/20 0.37
AGPAT2 O15120 1/20 0.36
KCNJ11 Q14654 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 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
SCHEMBL31279738 1.00 AR (0.39) ARCHRNA7BRAFCYP2C9USP30
SCHEMBL19251830 0.81 CA2 (0.44) ARCHRNA7BRAFCYP2C9CA12
SCHEMBL31279385 0.81 CA2 (0.44) ARCHRNA7BRAFCYP2C9CA12
SCHEMBL26627940 0.80 BRAF (0.45) ARCHRNA7BRAFCYP2C9USP30
SCHEMBL19251760 0.77 CHRNA7 (0.38) CHRNA7CA12CA1CA2CA9
SCHEMBL30177374 0.75 NAMPT (0.46) BRAFCYP2C9NAMPTRORC
SCHEMBL19252482 0.75 NAMPT (0.46) BRAFCYP2C9NAMPTRORC
SCHEMBL27954500 0.74 KMT2A (0.59) NAMPT
SCHEMBL22001498 0.72 CHRNA7 (0.43) ARCHRNA7BRAFCYP2C9CA12
SCHEMBL3866356 0.69 NPC1 (0.62) CYP2C9CA12CA1CA2CA9

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 AR 2345/4885CHRNA7 4572/4885BRAF 113/4885
US-11339141-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS AR 2345/4885CHRNA7 4572/4885BRAF 113/4885
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS AR 2345/4885CHRNA7 4572/4885BRAF 113/4885
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS AR 2345/4885CHRNA7 4572/4885BRAF 113/4885
US-10640485-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS AR 2345/4885CHRNA7 4572/4885BRAF 113/4885
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS AR 2345/4885CHRNA7 4572/4885BRAF 113/4885
US-10138219-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS AR 2345/4885CHRNA7 4572/4885BRAF 113/4885

“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.