SCHEMBL4920729

SCHEMBL4920729

Cn1ccnc1C1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCCCC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.47
MAPK1 P28482 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.38
RPS6KB1 P23443 4/20 0.38
AKT1 P31749 4/20 0.38
FAAH O00519 1/20 0.37
CYP11B2 P19099 1/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4931945 0.90 PIK3CA (0.46) HSD17B10MAPK1KDM4EL3MBTL1KMT2A
SCHEMBL4923497 0.88 RPS6KB1 (0.42) RPS6KB1AKT1
SCHEMBL4923945 0.88 SYK (0.44) HSD17B10MAPK1L3MBTL1RPS6KB1AKT1
SCHEMBL4928603 0.86 HSD17B10 (0.41) HSD17B10MAPK1KDM4EALDH1A1TP53
SCHEMBL14184758 0.86 SCN9A (0.42) HSD17B10MAPK1RPS6KB1AKT1FAAH
SCHEMBL4923903 0.77 RPS6KB1 (0.39) RPS6KB1AKT1MAP3K12
SCHEMBL4931016 0.77 SCN9A (0.35) HSD17B10MAPK1RPS6KB1AKT1FAAH
SCHEMBL4927406 0.74 MKNK1 (0.41) RPS6KB1AKT1
SCHEMBL4928254 0.74 SYK (0.45) HSD17B10MAPK1KDM4EALDH1A1TP53
SCHEMBL4929454 0.73 MTOR (0.46)

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 HSD17B10 3111/4885MAPK1 3040/4885KDM4E 3422/4885

“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.