SCHEMBL4928254

SCHEMBL4928254

CC1CCCN1c1nc(-c2ccc(F)cc2)cc(N2CCN(c3nccn3C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.45
MAP3K12 Q12852 5/20 0.41
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CHRM4 P08173 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KHK P50053 4/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4930774 0.88 CHRM4 (0.38) SYKMAP3K12CHRM4KHK
SCHEMBL4930783 0.88 CHRM4 (0.38) SYKMAP3K12CHRM4KHK
SCHEMBL4923945 0.87 SYK (0.44) SYKMAP3K12MAPK1HSD17B10CHRM4
SCHEMBL3887559 0.81 SYK (0.43) SYKMAP3K12MAPK1HSD17B10CHRM4
SCHEMBL4926985 0.80 HRH4 (0.44) L3MBTL1KDM4EALDH1A1
SCHEMBL3879480 0.80 SYK (0.42) SYKMAP3K12MAPK1HSD17B10L3MBTL1
SCHEMBL4929741 0.78 SYK (0.41) SYKMAP3K12MAPK1HSD17B10L3MBTL1
SCHEMBL4930822 0.78 HSD17B10 (0.44) SYKMAP3K12MAPK1HSD17B10L3MBTL1
SCHEMBL4930043 0.78 KHK (0.46) SYKMAP3K12MAPK1HSD17B10L3MBTL1
SCHEMBL3879868 0.78 TRPV1 (0.50) SYKMAPK1HSD17B10KHK

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 1 patent. 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

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 SYK 2136/4885MAP3K12 2454/4885MAPK1 3040/4885

“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.