SCHEMBL1906357

SCHEMBL1906357

Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccc(CCNS(=O)(=O)C2CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.72
JAK2 O60674 2/20 0.60
FLT3 P36888 1/20 0.60
JAK1 P23458 1/20 0.57
BRD2 P25440 1/20 0.57
JAK3 P52333 1/20 0.57
BRD3 Q15059 1/20 0.57
BRDT Q58F21 1/20 0.57

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
SCHEMBL1606982 0.91 BRD4 (0.69) BRD4
SCHEMBL1115595 0.90 BRD4 (0.55) BRD4JAK2FLT3JAK1JAK3
SCHEMBL1896619 0.89 BRD4 (0.60) BRD4JAK2FLT3JAK1BRD2
SCHEMBL1606964 0.86 BRD4 (0.60) BRD4JAK2JAK1BRD2JAK3
SCHEMBL18757687 0.84 BRD4 (1.00) BRD4JAK2FLT3JAK1BRD2
SCHEMBL4974359 0.84 JAK3 (0.54) BRD4JAK2FLT3JAK1JAK3
SCHEMBL1607609 0.82 BRD4 (0.60) BRD4JAK2
SCHEMBL1606788 0.82 BRD4 (0.68) BRD4JAK2FLT3JAK1BRD2
SCHEMBL17526072 0.81 BRD4 (1.00) BRD4JAK2FLT3JAK1BRD2
SCHEMBL4970287 0.81 BRD4 (0.49) BRD4JAK2FLT3JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 US claimed
US-7947698-B2 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases RIGEL PHARMACEUTICALS, INC. 2008-11-13 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 (1 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-20080279867-A1 Prevent trabsplant rejection; autoimmune diseases JAK3, JAK1, JAK2 BRD4 2500/4885JAK2 3/4885FLT3 775/4885

“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.