SCHEMBL22900718

SCHEMBL22900718

Cc1cnc2c(c1)C(CN)CCN2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.35
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
PDK2 Q15119 1/20 0.30
PDK4 Q16654 1/20 0.30
NNMT P40261 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL7914307 0.67 CA1 (0.36) PDK2PDK4NOS3NOS1NOS2
SCHEMBL13199592 0.67 CA1 (0.36) PDK2PDK4NOS3NOS1NOS2
SCHEMBL19908287 0.64 ALDH1A1 (0.35) ADRA2AADRA2BADRA2CNNMTNOS3
SCHEMBL21015037 0.64 DRD2 (0.32) NNMTNOS3NOS1NOS2
SCHEMBL23938075 0.64 CHRNB2 (0.31)
SCHEMBL25786311 0.64 CHRNB2 (0.31)
SCHEMBL828125 0.63 NNMT (0.53) NNMTNOS3NOS1NOS2
SCHEMBL13524722 0.62 DRD2 (0.31) PDK2
Hydrochloric Acid SCHEMBL19695152 0.61 NNMT (0.51) NNMTNOS3NOS1NOS2
SCHEMBL7921085 0.61 CCR1 (0.32) NOS3NOS1NOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-21 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-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS PGLS, MGAM, GMDS ALK 3679/4885ADRA2A 3480/4885ADRA2B 3481/4885
US-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS ALK 3679/4885ADRA2A 3480/4885ADRA2B 3481/4885

“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.