SCHEMBL4931945

SCHEMBL4931945

Cn1ccnc1C1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.46
MAP3K12 Q12852 1/20 0.46
MTOR P42345 7/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.42
RPS6KB1 P23443 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL4920729 0.90 HSD17B10 (0.47) MAP3K12MAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL14184758 0.84 SCN9A (0.42) MAPK1HSD17B10RPS6KB1
SCHEMBL4923945 0.84 SYK (0.44) MAP3K12MAPK1HSD17B10L3MBTL1RPS6KB1
SCHEMBL4928603 0.81 HSD17B10 (0.41) MAP3K12MAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL4923497 0.79 RPS6KB1 (0.42) RPS6KB1
SCHEMBL4929454 0.79 MTOR (0.46) PIK3CAMTOR
SCHEMBL14184766 0.79 MTOR (0.46) PIK3CAMTOR
SCHEMBL4931016 0.75 SCN9A (0.35) MAPK1HSD17B10RPS6KB1
SCHEMBL4923903 0.74 RPS6KB1 (0.39) MAP3K12RPS6KB1
SCHEMBL4927406 0.71 MKNK1 (0.41) RPS6KB1

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-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 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 (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-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 PIK3CA 756/4885MAP3K12 2454/4885MTOR 2002/4885

“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.