SCHEMBL21784856

SCHEMBL21784856

BC(B)(B)C(C)(NS(=O)(=O)c1cccc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)c1)C(B)(B)B

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.87
JAK2 O60674 10/20 0.87
JAK1 P23458 9/20 0.87
JAK3 P52333 8/20 0.87
TYK2 P29597 5/20 0.87
RET P07949 4/20 0.87
FLT3 P36888 4/20 0.87
BRDT Q58F21 3/20 0.87
WEE1 P30291 3/20 0.87
ALK Q9UM73 3/20 0.87
AXL P30530 3/20 0.87
MERTK Q12866 2/20 0.87
PLK4 O00444 2/20 0.87
CHEK1 O14757 2/20 0.87
AURKA O14965 2/20 0.87
DCLK1 O15075 2/20 0.87
DAPK3 O43293 2/20 0.87
ROCK2 O75116 2/20 0.87
PAK4 O96013 2/20 0.87
ABL1 P00519 2/20 0.87

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
SCHEMBL21784820 0.95 BRD4 (0.83) BRD4JAK2JAK1JAK3TYK2
Fedratinib SCHEMBL263741 0.93 BRD4 (1.00) BRD4JAK2JAK1JAK3TYK2
Fedratinib SCHEMBL29351417 0.93 BRD4 (1.00) BRD4JAK2JAK1JAK3TYK2
Fedratinib SCHEMBL2734027 0.92 BRD4 (0.98) BRD4JAK2JAK1JAK3TYK2
Fedratinib SCHEMBL29362183 0.92 BRD4 (0.97) BRD4JAK2JAK1JAK3TYK2
Fedratinib SCHEMBL2732092 0.92 BRD4 (0.97) BRD4JAK2JAK1JAK3TYK2
Fedratinib SCHEMBL21773088 0.90 BRD4 (0.91) BRD4JAK2JAK1JAK3TYK2
Fedratinib SCHEMBL21773035 0.90 BRD4 (0.91) BRD4JAK2JAK1JAK3TYK2
SCHEMBL28498376 0.90 BRD4 (0.84) BRD4JAK2JAK1JAK3TYK2
SCHEMBL16985210 0.89 BRD4 (0.84) BRD4JAK2JAK1JAK3TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384069-B2 Diphenylaminopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-07-12 US disclosed
US-20200071303-A1 DIPHENYLAMINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-03-05 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 (2 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-11384069-B2 Diphenylaminopyrimidine compound for inhibiting kinase activity JAK2, JAK1, JAK3 BRD4 631/4885JAK2 1/4885JAK1 2/4885
US-20200071303-A1 DIPHENYLAMINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY JAK2, JAK1, JAK3 BRD4 631/4885JAK2 1/4885JAK1 2/4885

“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.