SCHEMBL266184

SCHEMBL266184

CN1CCN(c2ccc(-c3cnc(N)nc3Nc3cccc(S(=O)(=O)C4CCNCC4)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.47
BUB1B O60566 1/20 0.44
JAK2 O60674 1/20 0.44
RET P07949 1/20 0.44
JAK1 P23458 1/20 0.44
BRD2 P25440 1/20 0.44
WEE1 P30291 1/20 0.44
FLT3 P36888 1/20 0.44
JAK3 P52333 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 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
SCHEMBL263109 0.86 JAK2 (0.51) BRD4BUB1BJAK2RETJAK1
SCHEMBL263544 0.84 DHFR (0.44) BRD4JAK2JAK3
SCHEMBL265214 0.83 BRD4 (0.49) BRD4BUB1BJAK2RETJAK1
SCHEMBL264498 0.82 BRD4 (0.48) BRD4BUB1BJAK2RETJAK1
Hydrochloric Acid SCHEMBL263808 0.81 BRD4 (0.49) BRD4BUB1BJAK2RETJAK1
SCHEMBL264535 0.81 KCNA5 (0.50) BRD4BUB1BJAK2RETJAK1
SCHEMBL265824 0.81 BRD4 (0.46) BRD4BUB1BJAK2RETJAK1
SCHEMBL264206 0.80 BRD4 (0.73) BRD4BUB1BJAK2RETJAK1
SCHEMBL263688 0.78 JAK2 (0.48) BRD4JAK2JAK1FLT3JAK3
SCHEMBL265875 0.76 BRD4 (0.63) BRD4ALK

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-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-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 (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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885BUB1B 397/4885JAK2 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.