SCHEMBL21392900

SCHEMBL21392900

C=CC(=O)NCc1ccnc(N2CCN(C)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
MAP3K7 O43318 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ACACB O00763 1/20 0.42
UCHL3 P15374 1/20 0.42
EGFR P00533 1/20 0.41
JAK3 P52333 3/20 0.41
JAK1 P23458 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
JAK2 O60674 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12806130 0.81 UCHL3 (0.45) MAP3K7MAP2K1UCHL3EGFRJAK3
SCHEMBL16815333 0.75 ACHE (0.50) ACHECCNT1CCNA2CDK2CDK9
SCHEMBL1992408 0.75 ACHE (0.48) ACHEACACB
SCHEMBL1124237 0.75 KMT2A (0.57) JAK3JAK1JAK2L3MBTL1
SCHEMBL30230267 0.73 HTR1A (0.56) ACHECCNT1CCNA2CDK2CDK9
SCHEMBL12806257 0.73 JAK3 (0.38) EGFRJAK3JAK1JAK2L3MBTL1
SCHEMBL12805395 0.72 ACHE (0.34) ACHEEGFR
SCHEMBL12805703 0.71 KMT5A (0.41) UCHL3
SCHEMBL12806153 0.71 KCNQ3 (0.41) UCHL3EGFRJAK3JAK1JAK2
SCHEMBL24920548 0.70 ACHE (0.48) ACHECCNT1CCNA2CDK2CDK9

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-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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 (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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 ACHE 4822/4885MAP3K7 1215/4885MAP2K1 2493/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 ACHE 2508/4885MAP3K7 2818/4885MAP2K1 3519/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 ACHE 4822/4885MAP3K7 1215/4885MAP2K1 2493/4885

“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.