SCHEMBL20204862

SCHEMBL20204862

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 1.00
BCR P11274 15/20 1.00
ABL2 P42684 2/20 1.00
PDGFRA P16234 10/20 0.82
PDGFRB P09619 9/20 0.82
SRC P12931 8/20 0.82
PRKCA P17252 6/20 0.82
PRKCD Q05655 3/20 0.82
PRKD3 O94806 1/20 0.82
PRKCG P05129 1/20 0.82
PRKCB P05771 1/20 0.82
PRKCH P24723 1/20 0.82
PRKCI P41743 1/20 0.82
PRKCE Q02156 1/20 0.82
PRKCQ Q04759 1/20 0.82
PRKCZ Q05513 1/20 0.82
PRKD1 Q15139 1/20 0.82
EGFR P00533 2/20 0.69
PRKACA P17612 1/20 0.69
PRKACG P22612 1/20 0.69

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
SCHEMBL9197 0.90 ABL1 (1.00) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL1430 0.90 ABL1 (1.00) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL10208 0.90 ABL1 (0.82) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL9763 0.90 ABL1 (1.00) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL9565 0.90 ABL1 (1.00) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL4086310 0.89 HDAC1 (0.84) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL1522 0.89 ABL1 (1.00) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL20998651 0.89 ABL1 (0.83) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL3869324 0.87 ABL1 (0.78) ABL1BCRABL2PDGFRAPDGFRB
SCHEMBL4901151 0.87 ABL1 (0.80) ABL1BCRABL2PDGFRAPDGFRB

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 ABL1 1511/4885BCR 328/4885ABL2 1219/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 ABL1 1511/4885BCR 328/4885ABL2 1219/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 ABL1 1511/4885BCR 328/4885ABL2 1219/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 ABL1 1511/4885BCR 328/4885ABL2 1219/4885

“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.