SCHEMBL3392847

SCHEMBL3392847

O=C1NCCOc2ncncc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.40
FABP6 P51161 1/20 0.40
CDC7 O00311 2/20 0.35
MAPKAPK2 P49137 1/20 0.34
GSK3B P49841 1/20 0.34
NTRK1 P04629 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
ROS1 P08922 1/20 0.32
MAP4K1 Q92918 4/20 0.32
KDM4E B2RXH2 1/20 0.32
CDC25B P30305 1/20 0.32
JAK2 O60674 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
SCHEMBL29587759 0.83 CDC25B (0.33) CDC7MAPKAPK2MKNK1CDC25B
SCHEMBL1190111 0.75 GRM5 (0.36) MAP4K1
SCHEMBL3063384 0.75 FABP6 (0.44) ALPLFABP6GSK3BNTRK1
SCHEMBL3394900 0.74 ALPL (0.41) ALPLFABP6NTRK1MAP4K1JAK2
SCHEMBL21291859 0.74 ALPL (0.46) ALPLFABP6MAPKAPK2GSK3BNTRK1
SCHEMBL21333463 0.74 ALPL (0.46) ALPLFABP6GSK3BNTRK1ROS1
SCHEMBL30229269 0.73 FABP6 (0.40) FABP6GSK3BNTRK1KDM4ECDC25B
SCHEMBL19553234 0.72 DAPK3 (0.47) CDC7MAPKAPK2GSK3BMKNK1CDC25B
SCHEMBL3046656 0.70 CDC7 (0.43) CDC7MAPKAPK2GSK3BMKNK1
SCHEMBL29937493 0.70 CDC7 (0.43) CDC7MAPKAPK2GSK3BMKNK1

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-9550793-B2 Spirocyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-01-24 US disclosed
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-06 US disclosed
US-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES PFIZER INC 2010-08-12 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 (2 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-20100204119-A1 4-AMINO-5-OXO-7,8-DIHYDROPYRIMIDO[5,4-F][1,4]OXAZEPIN-6(5H)-YL PHENYL DERIVATIVES DGAT1, DGAT2, MOGAT2 ALPL 3252/4885FABP6 392/4885CDC7 2718/4885
US-20150218187-A1 SPIROCYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF DGAT1, DGAT2, CPT1A ALPL 1679/4885FABP6 477/4885CDC7 2573/4885

“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.