SCHEMBL20204778

SCHEMBL20204778

Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.71
CDK7 P50613 17/20 0.70
CCNH P51946 12/20 0.70
CDK5 Q00535 3/20 0.70
CDK13 Q14004 2/20 0.70
CDK12 Q9NYV4 2/20 0.70
CDK1 P06493 2/20 0.70
CDK2 P24941 2/20 0.70
CDK9 P50750 2/20 0.70
MNAT1 P51948 2/20 0.70
CDK5R1 Q15078 2/20 0.70
CCNT1 O60563 1/20 0.70
CCNK O75909 1/20 0.70
CCNB1 P14635 1/20 0.70
CCNA2 P20248 1/20 0.70
MAPK8 P45983 1/20 0.70
MAPK9 P45984 1/20 0.70
MAP3K11 Q16584 1/20 0.70
CDK8 P49336 1/20 0.66

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
SCHEMBL17140880 0.92 EGFR (0.69) EGFRCDK7CCNHCDK5CDK13
SCHEMBL20416126 0.91 EGFR (0.71) EGFRCDK7CCNHCDK5CDK13
SCHEMBL31425020 0.88 EGFR (0.71) EGFRCDK7CCNHCDK5CDK13
SCHEMBL18313560 0.88 EGFR (0.87) EGFRCDK7CCNHCDK5CDK13
SCHEMBL15648488 0.87 CDK5 (0.71) EGFRCDK7CCNHCDK5CDK13
SCHEMBL20204764 0.86 CDK7 (0.74) EGFRCDK7CCNHCDK5CDK13
SCHEMBL20204769 0.86 CDK7 (0.81) EGFRCDK7CCNHCDK5CDK13
SCHEMBL15647409 0.86 PIP4K2C (0.53) EGFRCDK7CCNHCDK5CDK13
SCHEMBL23609218 0.86 CDK7 (0.77) EGFRCDK7CCNHCDK5CDK13
SCHEMBL21561642 0.86 CDK7 (0.71) EGFRCDK7CCNHCDK5CDK13

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 7 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-20220390432-A1 METHODS OF CHARACTERIZING AND UTILIZING AGENT-CONDENSATE INTERACTIONS UNITED STATES GOVERNMENT AS REPRESENTED BY THE SECRETARY OF THE ARMY 2022-12-08 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
EP-3569598-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) Dana Farber Cancer Institute, Inc. (US) 2019-11-20 EP 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
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 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 (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 EGFR 3656/4885CDK7 2189/4885CCNH 2179/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 EGFR 3656/4885CDK7 2189/4885CCNH 2179/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 EGFR 3656/4885CDK7 2189/4885CCNH 2179/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 EGFR 3656/4885CDK7 2189/4885CCNH 2179/4885

“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.