SCHEMBL713670

SCHEMBL713670

O=C(c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1)N1CCN(c2ncc(Cc3ccccc3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.54
PDE5A O76074 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GBA1 P04062 3/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
TSHR P16473 3/20 0.51
USP2 O75604 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.50
MAPK10 P53779 2/20 0.48
ALDH1A1 P00352 3/20 0.48
PTGS1 P23219 2/20 0.48
TBXAS1 P24557 2/20 0.48
PTGS2 P35354 2/20 0.48

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
SCHEMBL715544 0.91 SLC6A7 (0.52) SLC6A7PDE5AMEN1KMT2AGBA1
SCHEMBL715005 0.89 ABCG2 (0.53) SLC6A7PDE5AMEN1KMT2ATSHR
SCHEMBL713528 0.88 KIT (0.56) SLC6A7PDE5ALMNATSHRMAPK10
SCHEMBL713933 0.83 MEN1 (0.55) SLC6A7PDE5AMEN1KMT2ALMNA
SCHEMBL3640288 0.80 PDE5A (0.68) SLC6A7PDE5AKMT2ALMNAHPGD
SCHEMBL10061589 0.79 KIT (0.54) SLC6A7PDE5ALMNATSHRMAPK10
SCHEMBL3645095 0.78 CTNNB1 (0.68) PDE5AMEN1KMT2ALMNAMAPT
SCHEMBL713524 0.78 KIT (0.57) SLC6A7MEN1KMT2ATSHRALDH1A1
SCHEMBL713649 0.78 SLC6A7 (0.52) SLC6A7PDE5AMEN1KMT2ALMNA
SCHEMBL10029631 0.76 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 SLC6A7 1983/4885PDE5A 1543/4885MEN1 3873/4885

“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.