SCHEMBL24655005

SCHEMBL24655005

CC(C)(CCC(C)(C)c1nnc2ccccn12)c1ccc2nnc(C(F)F)n2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
SCN5A Q14524 3/20 0.38
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
CYP2C9 P11712 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24656674 0.74 SCN5A (0.50) MAPK14SCN5AKDM4EALDH1A1CYP1A2
SCHEMBL21941232 0.73 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2CYP2C9HSD17B10
SCHEMBL19861782 0.72 KDM4E (0.50) MAPK14SCN5AKDM4EALDH1A1SMN1; SMN2
SCHEMBL18912020 0.70 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2CYP2C9HSD17B10
SCHEMBL10224281 0.66 KDM4E (0.50) MAPK14SCN5AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15979322 0.64 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2CYP2C9HSD17B10
SCHEMBL21893827 0.64 SCN5A (0.50) MAPK14SCN5AKDM4EALDH1A1CYP1A2
SCHEMBL750920 0.63 KDM4E (0.50) SCN5AKDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL21237806 0.63 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19292586 0.62 ALDH1A1 (0.45) MAPK14SCN5AKDM4EALDH1A1SMN1; SMN2

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP MAPK14 4428/4885SCN5A 1883/4885KDM4E 2437/4885

“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.