SCHEMBL4919626

SCHEMBL4919626

CCN(CC)c1nc(-c2ccc(F)cc2)cc(N2CCC(c3nccn3C)CC2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.39
SYK P43405 2/20 0.37
FAAH O00519 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
RPS6KB1 P23443 2/20 0.31
GRIA1 P42261 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4928603 0.83 HSD17B10 (0.41) MAP3K12SYKFAAHMAPK1HSD17B10
SCHEMBL4929454 0.81 MTOR (0.46) GRIA1
SCHEMBL14184766 0.81 MTOR (0.46) GRIA1
SCHEMBL4931016 0.72 SCN9A (0.35) FAAHMAPK1HSD17B10RPS6KB1AKT1
SCHEMBL4923945 0.72 SYK (0.44) MAP3K12SYKFAAHMAPK1HSD17B10
SCHEMBL14184758 0.71 SCN9A (0.42) FAAHMAPK1HSD17B10RPS6KB1AKT1
SCHEMBL4931945 0.69 PIK3CA (0.46) MAP3K12MAPK1HSD17B10RPS6KB1KDM4E
SCHEMBL4920729 0.69 HSD17B10 (0.47) MAP3K12FAAHMAPK1HSD17B10RPS6KB1
SCHEMBL4923903 0.63 RPS6KB1 (0.39) MAP3K12RPS6KB1AKT1
SCHEMBL4928254 0.62 SYK (0.45) MAP3K12SYKMAPK1HSD17B10KDM4E

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 MAP3K12 2454/4885SYK 2136/4885FAAH 1445/4885

“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.