SCHEMBL23901856

SCHEMBL23901856

Cn1c(CCCCc2nc3ccc(C(=N)N)cc3n2C)nc2ccc(C(=N)N)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.50
KLK5 Q9Y337 1/20 0.50
F2 P00734 4/20 0.49
PLG P00747 3/20 0.49
PLAU P00749 3/20 0.49
PRSS1 P07477 3/20 0.49
F10 P00742 2/20 0.49
MAPT P10636 1/20 0.49
TPSAB1 Q15661 2/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL23901812 0.82 F2 (0.57) KLK1KLK5F2PLGPLAU
SCHEMBL34433937 0.82 F2 (0.57) KLK1KLK5F2PLGPLAU
SCHEMBL7477294 0.76 APEX1 (0.44) F2PLGPLAUPRSS1F10
SCHEMBL1638544 0.76 MAPT (0.54) MAPTJAK2JAK1TYK2JAK3
SCHEMBL7476301 0.71 KLK1 (0.53) KLK1KLK5F2PLGPLAU
SCHEMBL3643686 0.71 AGTR1 (0.53) HDAC6
SCHEMBL7373376 0.71 F10 (0.46) F2PLGPLAUPRSS1F10
SCHEMBL24095240 0.71 MAPT (0.44) MAPTHDAC6
SCHEMBL7408823 0.70 F10 (0.59) KLK1KLK5F2PLGPLAU
SCHEMBL1726103 0.69 JAK2 (0.58) F2MAPTJAK2JAK1TYK2

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 KLK1 1869/4885KLK5 2259/4885F2 1488/4885

“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.