SCHEMBL713528

SCHEMBL713528

O=C(c1ccc(CNc2ncnc3ccccc23)cc1)N1CCN(c2ncc(Cc3ccccc3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.56
PDGFRA P16234 1/20 0.56
FLT3 P36888 1/20 0.56
SLC6A7 Q99884 2/20 0.56
GALR3 O60755 2/20 0.52
NR2F2 P24468 2/20 0.52
EGFR P00533 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK10 P53779 8/20 0.50
HDAC1 Q13547 2/20 0.48
MAPK8 P45983 5/20 0.46
PDE5A O76074 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
SCHEMBL10061589 0.91 KIT (0.54) KITPDGFRAFLT3SLC6A7GALR3
SCHEMBL713649 0.90 SLC6A7 (0.52) SLC6A7GALR3NR2F2EGFRRAB9A
SCHEMBL713524 0.88 KIT (0.57) KITPDGFRAFLT3SLC6A7EGFR
SCHEMBL713670 0.88 SLC6A7 (0.54) SLC6A7LMNATSHRMAPK1MAPK10
SCHEMBL711881 0.82 KIT (0.54) KITPDGFRAFLT3SLC6A7LMNA
SCHEMBL715544 0.79 SLC6A7 (0.52) SLC6A7LMNATSHRMAPK10MAPK8
SCHEMBL715211 0.78 RAB9A (0.55) KITPDGFRAFLT3SLC6A7EGFR
SCHEMBL715005 0.78 ABCG2 (0.53) KITPDGFRAFLT3SLC6A7TSHR
SCHEMBL3640288 0.78 PDE5A (0.68) SLC6A7RAB9ALMNAMAPK1HTT
SCHEMBL10029631 0.77 PARP1 (0.51) SLC6A7MAPK10MAPK8

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 964/4885PDGFRA 587/4885FLT3 345/4885

“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.