SCHEMBL300411

SCHEMBL300411

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(I)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.72
JAK3 P52333 5/20 0.72
JAK2 O60674 4/20 0.72
BRDT Q58F21 2/20 0.72
BRD2 P25440 1/20 0.72
BRD3 Q15059 1/20 0.72
SRC P12931 6/20 0.70
JAK1 P23458 5/20 0.70
KDR P35968 4/20 0.70
LCK P06239 3/20 0.70
YES1 P07947 3/20 0.70
FGFR1 P11362 3/20 0.70
EPHB4 P54760 3/20 0.70
TEK Q02763 3/20 0.70
RET P07949 2/20 0.70
TYK2 P29597 2/20 0.70
FLT3 P36888 2/20 0.70
AXL P30530 2/20 0.70
ABL1 P00519 2/20 0.70
EGFR P00533 2/20 0.70

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
SCHEMBL271058 0.91 BRD4 (0.74) BRD4JAK3JAK2BRDTBRD2
SCHEMBL265437 0.89 JAK3 (0.74) BRD4JAK3JAK2BRDTBRD2
SCHEMBL265860 0.89 BRD4 (0.72) BRD4JAK3JAK2BRDTBRD2
SCHEMBL264670 0.89 BRD4 (0.72) BRD4JAK3JAK2BRDTBRD2
SCHEMBL270394 0.89 BRD4 (0.72) BRD4JAK3JAK2BRDTBRD2
Hydrochloric Acid SCHEMBL263326 0.88 BRD4 (0.71) BRD4JAK3JAK2BRDTBRD2
Hydrochloric Acid SCHEMBL265953 0.88 BRD4 (0.71) BRD4JAK3JAK2BRDTBRD2
SCHEMBL270718 0.87 BRD4 (0.75) BRD4JAK3JAK2BRDTBRD2
SCHEMBL21349607 0.87 BRD4 (0.70) BRD4JAK3JAK2BRDTBRD2
SCHEMBL265056 0.87 BRD4 (0.70) BRD4JAK3JAK2BRDTBRD2

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-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK BRD4 156/4885JAK3 4/4885JAK2 1/4885

“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.