SCHEMBL264449

SCHEMBL264449

Cc1c(N)nc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-c1cccc(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.56
FYN P06241 1/20 0.47
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
CTSC P53634 1/20 0.44
BTK Q06187 3/20 0.44
JAK2 O60674 4/20 0.44
MAP4K1 Q92918 1/20 0.44
EGFR P00533 1/20 0.44
JAK3 P52333 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
SRC P12931 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
TTK P33981 1/20 0.43

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
SCHEMBL265081 0.88 MAPKAPK2 (0.53) BRD4CDK4CCND1BTKJAK2
SCHEMBL263993 0.85 CDK4 (0.45) BRD4CDK4CCND1BTKJAK2
SCHEMBL263414 0.81 BRD4 (0.37) BRD4
SCHEMBL265103 0.80 BRD4 (0.48) BRD4CDK4CCND1ADRA2AADRA2C
SCHEMBL263677 0.80 KDR (0.37) BRD4FYN
SCHEMBL263818 0.79 BRD4 (0.47) BRD4CDK4CCND1JAK2JAK3
Hydrochloric Acid SCHEMBL266885 0.79 CDK4 (0.49) BRD4CDK4CCND1CTSCJAK2
SCHEMBL265380 0.79 BRD4 (0.40) BRD4BTKJAK2
SCHEMBL264613 0.78 JAK2 (0.47) BRD4CDK4CCND1JAK2JAK3
SCHEMBL263868 0.77 BRD4 (0.64) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
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
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 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 (3 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 142/4885FYN 221/4885CDK4 117/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885FYN 221/4885CDK4 117/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRD4 142/4885FYN 221/4885CDK4 117/4885

“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.