SCHEMBL21084626

SCHEMBL21084626

Cc1cc(F)cc2c1NCCC2C(=O)n1nc2c(c1N)[C@H](N)CCC2

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 20/20 0.68
▸ F2 P00734 3/20 0.62

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
SCHEMBL19657062 1.00 F12 (0.68) F12F2
SCHEMBL19657071 0.86 F12 (0.69) F12F2
SCHEMBL21084630 0.86 F12 (0.69) F12F2
SCHEMBL19657068 0.86 F12 (0.69) F12F2
SCHEMBL21084638 0.85 F12 (0.67) F12F2
SCHEMBL19657072 0.85 F12 (0.67) F12F2
SCHEMBL19657066 0.85 F12 (0.67) F12F2
SCHEMBL21084678 0.82 F12 (0.73) F12F2
SCHEMBL19657053 0.82 F12 (0.76) F12F2
SCHEMBL19656999 0.82 F12 (0.73) F12F2

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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 — — 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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI F12 16/4885F2 13/4885

“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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