SCHEMBL270995

SCHEMBL270995

Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.61
JAK2 O60674 7/20 0.49
JAK3 P52333 5/20 0.49
BRDT Q58F21 3/20 0.49
BRD2 P25440 2/20 0.49
BRD3 Q15059 2/20 0.49
SYK P43405 4/20 0.48
EGFR P00533 3/20 0.47
BTK Q06187 3/20 0.47
JAK1 P23458 3/20 0.47
AURKA O14965 3/20 0.47
PLK4 O00444 2/20 0.47
CHEK1 O14757 2/20 0.47
DCLK1 O15075 2/20 0.47
DAPK3 O43293 2/20 0.47
ROCK2 O75116 2/20 0.47
PAK4 O96013 2/20 0.47
ABL1 P00519 2/20 0.47
NTRK1 P04629 2/20 0.47
INSR P06213 2/20 0.47

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
SCHEMBL270076 0.91 BRD4 (0.59) BRD4JAK2JAK3BRDTBRD2
Hydrochloric Acid SCHEMBL265273 0.90 BRD4 (0.58) BRD4JAK2JAK3BRDTBRD2
SCHEMBL271247 0.86 BRD4 (0.63) BRD4JAK2JAK3BRDTBRD2
SCHEMBL271021 0.86 SYK (0.68) BRD4JAK2JAK3SYKEGFR
SCHEMBL12109589 0.86 BRD4 (0.58) BRD4JAK2JAK3BRDTBRD2
SCHEMBL271520 0.84 AURKA (0.51) BRD4JAK2JAK3SYKEGFR
SCHEMBL13865303 0.83 BRD4 (0.69) BRD4JAK2JAK3BRDTBRD2
SCHEMBL271149 0.83 EGFR (0.58) BRD4JAK2JAK3SYKEGFR
SCHEMBL270949 0.82 BRD4 (0.49) BRD4SYKAURKAAXLSTK17A
SCHEMBL271050 0.81 AURKA (0.46) BRD4JAK2JAK3BRDTBRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885JAK2 1/4885JAK3 3/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B BRD4 1036/4885JAK2 1/4885JAK3 5/4885

“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.