SCHEMBL271247

SCHEMBL271247

Cc1cnc(Nc2ccc(C3CCCCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.63
SYK P43405 1/20 0.50
NPY5R Q15761 1/20 0.48
AURKA O14965 1/20 0.46
JAK3 P52333 4/20 0.45
JAK2 O60674 3/20 0.45
BRD2 P25440 3/20 0.45
BRD3 Q15059 3/20 0.45
BRDT Q58F21 3/20 0.45
JAK1 P23458 2/20 0.45
CTSC P53634 1/20 0.45
BTK Q06187 1/20 0.45
EGFR P00533 1/20 0.45
BUB1B O60566 1/20 0.44
RET P07949 1/20 0.44
WEE1 P30291 1/20 0.44
FLT3 P36888 1/20 0.44
ALK Q9UM73 1/20 0.44

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
SCHEMBL270738 0.90 BRD4 (0.61) BRD4SYKAURKAJAK3JAK2
Hydrochloric Acid SCHEMBL267077 0.89 BRD4 (0.60) BRD4SYKJAK3JAK2BRD2
SCHEMBL18757998 0.89 BRD4 (0.73) BRD4JAK3JAK2BRD2BRD3
SCHEMBL270995 0.86 BRD4 (0.61) BRD4SYKAURKAJAK3JAK2
SCHEMBL12109589 0.82 BRD4 (0.58) BRD4SYKAURKAJAK3JAK2
SCHEMBL271567 0.79 BRD4 (0.64) BRD4SYKAURKAJAK3JAK2
SCHEMBL270076 0.79 BRD4 (0.59) BRD4SYKAURKAJAK3JAK2
Hydrochloric Acid SCHEMBL265273 0.78 BRD4 (0.58) BRD4SYKAURKAJAK3JAK2
SCHEMBL270416 0.77 BRD4 (1.00) BRD4JAK3JAK2BRD2BRD3
SCHEMBL270241 0.77 BRD4 (0.61) BRD4SYKAURKAJAK3JAK2

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 6 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
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885SYK 281/4885NPY5R 2507/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885SYK 281/4885NPY5R 2507/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885SYK 281/4885NPY5R 2507/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B BRD4 1036/4885SYK 43/4885NPY5R 4483/4885

“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.