SCHEMBL20204910

SCHEMBL20204910

Nc1cccc(CNc2nc(Nc3cnn(CCO)c3)ncc2Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.72
JAK1 P23458 11/20 0.72
TTK P33981 3/20 0.72
TYK2 P29597 2/20 0.72
JAK3 P52333 17/20 0.65
AURKA O14965 1/20 0.59
NTRK1 P04629 1/20 0.54

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
SCHEMBL15560326 0.90 JAK2 (0.74) JAK2JAK1TTKTYK2JAK3
SCHEMBL16782470 0.88 JAK2 (0.70) JAK2JAK1TTKTYK2JAK3
SCHEMBL15546548 0.87 JAK2 (0.69) JAK2JAK1TTKTYK2JAK3
SCHEMBL19417664 0.86 JAK2 (0.69) JAK2JAK1TTKTYK2JAK3
SCHEMBL16782618 0.86 JAK2 (0.69) JAK2JAK1TTKTYK2JAK3
SCHEMBL15547431 0.86 JAK1 (0.69) JAK2JAK1TTKTYK2JAK3
SCHEMBL15547919 0.86 JAK2 (0.69) JAK2JAK1TTKTYK2JAK3
SCHEMBL16782568 0.86 JAK1 (0.68) JAK2JAK1TTKTYK2JAK3
SCHEMBL16782458 0.86 JAK2 (0.67) JAK2JAK1TTKTYK2JAK3
SCHEMBL15546922 0.85 JAK2 (0.77) JAK2JAK1TTKTYK2JAK3

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 JAK2 4046/4885JAK1 4784/4885TTK 2638/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 JAK2 4046/4885JAK1 4784/4885TTK 2638/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 JAK2 4046/4885JAK1 4784/4885TTK 2638/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 JAK2 4046/4885JAK1 4784/4885TTK 2638/4885

“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.