SCHEMBL18538093

SCHEMBL18538093

Cc1cnc2c(c1)c(C(=O)C(C)Br)cn2C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.34
▸ TYK2 P29597 3/20 0.33
▸ NTRK1 P04629 5/20 0.33
▸ SPR P35270 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PKMYT1 Q99640 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL18527226 0.82 NTRK1 (0.40) PDE2ANTRK1CHRNA7ALDH1A1
SCHEMBL18538092 0.77 NTRK1 (0.36) NTRK1SPRMTNR1ABRD4CHRNA7
SCHEMBL12616365 0.74 ADRA2A (0.33) NTRK1SPRBRD4ALDH1A1L3MBTL1
SCHEMBL31370721 0.71 BRD4 (0.35) MTNR1ABRD4
SCHEMBL17145183 0.70 PKMYT1 (0.37) NTRK1SPRCHRNA7PKMYT1
SCHEMBL4403649 0.70 NOS3 (0.38) MTNR1ABRD4CHRNA7PKMYT1
SCHEMBL18527355 0.69 TYK2 (0.35) TYK2NTRK1MTNR1A
SCHEMBL18527151 0.69 NR3C1 (0.32) —
SCHEMBL20413788 0.68 ALDH1A1 (0.42) MTNR1ABRD4ALDH1A1PKMYT1
SCHEMBL25848123 0.68 HSD17B10 (0.41) MTNR1ABRD4KDM5AKDM4CALDH1A1

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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 — — 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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC PDE2A 935/4885TYK2 1194/4885NTRK1 1009/4885

“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.

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