SCHEMBL21561673

SCHEMBL21561673

Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.73
▸ JUN P05412 9/20 0.73
▸ MAPK8 P45983 9/20 0.73
▸ MAPK9 P45984 9/20 0.73
▸ MAPK10 P53779 6/20 0.73
▸ CDK7 P50613 10/20 0.70
▸ CCNK O75909 8/20 0.70
▸ CDK9 P50750 8/20 0.70
▸ CDK12 Q9NYV4 8/20 0.70
▸ CCNH P51946 7/20 0.70
▸ CCNT1 O60563 7/20 0.70
▸ CDK13 Q14004 6/20 0.70
▸ MNAT1 P51948 5/20 0.70
▸ CCNA2 P20248 4/20 0.70
▸ CDK3 Q00526 1/20 0.70
▸ CCNE1 P24864 1/20 0.67

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
SCHEMBL20041398 1.00 CDK2 (0.73) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL16654836 0.96 CDK2 (0.73) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL16655011 0.96 CDK2 (0.73) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL16654839 0.96 CDK2 (0.73) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL18313056 0.92 CDK2 (0.75) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL18078655 0.92 MAPK8 (0.70) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL20764176 0.91 MAPK8 (0.73) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL20190370 0.91 CDK2 (0.76) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL20190366 0.91 CDK2 (0.76) CDK2JUNMAPK8MAPK9MAPK10
SCHEMBL21234360 0.89 CDK2 (0.69) CDK2JUNMAPK8MAPK9MAPK10

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-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 — — US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 — — US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 — — US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 — — 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 (4 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-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CDK2 837/4885JUN 4082/4885MAPK8 3032/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CDK2 837/4885JUN 4082/4885MAPK8 3032/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CDK2 837/4885JUN 4082/4885MAPK8 3032/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CDK2 837/4885JUN 4082/4885MAPK8 3032/4885

“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.

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