SCHEMBL713524

SCHEMBL713524

O=C(c1ccc(Nc2ncnc3ccccc23)cc1)N1CCN(c2ncc(Cc3ccccc3)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.57
FLT3 P36888 2/20 0.57
PDGFRA P16234 1/20 0.57
SLC6A7 Q99884 5/20 0.52
RAB9A P51151 1/20 0.47
TNKS O95271 1/20 0.47
PIK3CG P48736 1/20 0.47
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
AURKB Q96GD4 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CHEK2 O96017 1/20 0.46
ROS1 P08922 1/20 0.46
ERBB4 Q15303 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
DAPK3 O43293 1/20 0.45
MAP4K4 O95819 1/20 0.45

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
SCHEMBL711881 0.90 KIT (0.54) KITFLT3PDGFRASLC6A7ERBB2
SCHEMBL715211 0.90 RAB9A (0.55) KITFLT3PDGFRASLC6A7RAB9A
SCHEMBL713528 0.88 KIT (0.56) KITFLT3PDGFRASLC6A7RAB9A
SCHEMBL715005 0.88 ABCG2 (0.53) KITFLT3PDGFRASLC6A7TNKS
SCHEMBL10061589 0.83 KIT (0.54) KITFLT3PDGFRASLC6A7RAB9A
SCHEMBL714936 0.80 MAPT (0.57) SLC6A7RAB9AEGFRMEN1KMT2A
SCHEMBL713933 0.78 MEN1 (0.55) SLC6A7MEN1KMT2AABCG2ALDH1A1
SCHEMBL713649 0.78 SLC6A7 (0.52) SLC6A7RAB9AEGFRMEN1KMT2A
SCHEMBL713670 0.78 SLC6A7 (0.54) SLC6A7CLK4MEN1KMT2AMAPK8
SCHEMBL8933881 0.75 ERBB2 (0.73) FLT3RAB9AEGFRERBB2AURKB

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-8609672-B2 Piperazinylpyrimidine analogues as protein kinase inhibitors UNIVERSITY OF THE PACIFIC (US) 2013-12-17 US disclosed
US-20120053183-A1 PIPERAZINYLPYRIMIDINE ANALOGUES AS PROTEIN KINASE INHIBITORS UNIVERSITY OF THE PACIFIC (US) 2012-03-01 US disclosed
WO-2012027495-A1 PIPERAZINYLPYRIMIDINE ANALOGUES AS PROTEIN KINASE INHIBITORS UNIVERSITY OF THE PACIFIC (US) 2012-03-01 WO 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-20120053183-A1 PIPERAZINYLPYRIMIDINE ANALOGUES AS PROTEIN KINASE INHIBITORS DCK, PAK5, CDK2 KIT 964/4885FLT3 345/4885PDGFRA 587/4885

“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.