SCHEMBL23901812

SCHEMBL23901812

Cn1c(CCc2nc3cc(C(=N)N)ccc3n2C)nc2cc(C(=N)N)ccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.57
KLK1 P06870 1/20 0.52
KLK5 Q9Y337 1/20 0.52
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46

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
SCHEMBL34433937 1.00 F2 (0.57) F2KLK1KLK5JAK2JAK1
SCHEMBL23901856 0.82 KLK1 (0.50) F2KLK1KLK5JAK2JAK1
SCHEMBL7476975 0.81 F2 (0.50) F2PLGPLAU
SCHEMBL7252982 0.80 F2 (0.68) F2PLG
Hydrochloric Acid SCHEMBL7251642 0.79 F2 (0.67) F2PLG
SCHEMBL7476301 0.79 KLK1 (0.53) F2KLK1KLK5PLGPLAU
Hydrochloric Acid SCHEMBL7250157 0.77 F2 (0.65) F2PLG
SCHEMBL7404219 0.77 F10 (0.64) F2KLK1KLK5PLGPLAU
Hydrochloric Acid SCHEMBL7253337 0.77 F2 (0.64) F2PLG
SCHEMBL1726928 0.76 JAK2 (0.60) F2JAK2JAK1TYK2JAK3

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 F2 1488/4885KLK1 1869/4885KLK5 2259/4885

“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.