SCHEMBL20204860

SCHEMBL20204860

C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.79
MAPK9 P45984 4/20 0.79
MAPK10 P53779 4/20 0.79
ABL1 P00519 13/20 0.75
BCR P11274 12/20 0.75
PDGFRA P16234 10/20 0.75
PDGFRB P09619 8/20 0.75
SRC P12931 6/20 0.72
PRKCA P17252 5/20 0.72
PRKCD Q05655 3/20 0.72
PRKD3 O94806 1/20 0.72
PRKCG P05129 1/20 0.72
PRKCB P05771 1/20 0.72
PRKCH P24723 1/20 0.72
PRKCI P41743 1/20 0.72
PRKCE Q02156 1/20 0.72
PRKCQ Q04759 1/20 0.72
PRKCZ Q05513 1/20 0.72
PRKD1 Q15139 1/20 0.72
ABL2 P42684 2/20 0.72

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
SCHEMBL11927767 0.90 PDGFRA (0.83) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL14979753 0.89 PDGFRA (0.79) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL14979773 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL29416038 0.88 MAPK8 (1.00) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL20204854 0.87 ABL1 (0.72) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL20998651 0.87 ABL1 (0.83) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL14979759 0.86 PDGFRA (0.77) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL9763 0.86 ABL1 (1.00) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL1430 0.84 ABL1 (1.00) MAPK8MAPK9MAPK10ABL1BCR
SCHEMBL9197 0.84 ABL1 (1.00) MAPK8MAPK9MAPK10ABL1BCR

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 5 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
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 MAPK8 3032/4885MAPK9 4002/4885MAPK10 3263/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 MAPK8 3032/4885MAPK9 4002/4885MAPK10 3263/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 MAPK8 3032/4885MAPK9 4002/4885MAPK10 3263/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 MAPK8 3032/4885MAPK9 4002/4885MAPK10 3263/4885

“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.