SCHEMBL715544

SCHEMBL715544

CCc1cnc(N2CCN(C(=O)c3ccc(CNc4nc(-c5ccccc5)nc5ccccc45)cc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 3/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PDE5A O76074 3/20 0.51
GBA1 P04062 2/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.50
CTNNB1 P35222 4/20 0.49
TCF7L2 Q9NQB0 4/20 0.49
MAPK10 P53779 3/20 0.48
HRH4 Q9H3N8 1/20 0.47
MAPK8 P45983 1/20 0.47

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
SCHEMBL713670 0.91 SLC6A7 (0.54) SLC6A7MEN1KMT2APDE5AGBA1
SCHEMBL713649 0.87 SLC6A7 (0.52) SLC6A7MEN1KMT2APDE5ALMNA
SCHEMBL715005 0.80 ABCG2 (0.53) SLC6A7MEN1KMT2APDE5ATSHR
SCHEMBL3588194 0.80 SLC6A7 (0.74) SLC6A7MEN1KMT2ALMNATSHR
SCHEMBL713528 0.79 KIT (0.56) SLC6A7PDE5ALMNATSHRMAPK10
SCHEMBL3640288 0.78 PDE5A (0.68) SLC6A7KMT2APDE5ALMNAHPGD
SCHEMBL3645095 0.78 CTNNB1 (0.68) MEN1KMT2APDE5ALMNAMAPT
SCHEMBL715211 0.77 RAB9A (0.55) SLC6A7MEN1KMT2ALMNAHPGD
SCHEMBL715268 0.75 LMNA (0.61) MEN1KMT2AGBA1LMNATSHR
SCHEMBL713933 0.75 MEN1 (0.55) SLC6A7MEN1KMT2APDE5ALMNA

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 1983/4885MEN1 3873/4885KMT2A 1149/4885

“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.