SCHEMBL17995151

SCHEMBL17995151

Cc1ccc(-n2cnnn2)c(/C=C/C(=O)NC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.48
KLKB1 P03952 13/20 0.48
F9 P00740 1/20 0.42

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
SCHEMBL20313757 0.88 F11 (0.59) F11KLKB1
SCHEMBL1197747 0.83 KMT2A (0.47) F11KLKB1
SCHEMBL1197749 0.83 KMT2A (0.47) F11KLKB1
SCHEMBL10258220 0.78 KMT2A (0.52) F11
SCHEMBL8094866 0.77 F11 (0.65) F11KLKB1
SCHEMBL12352534 0.76 KMT2A (0.52) F11
SCHEMBL13073915 0.76 F11 (0.61) F11KLKB1
SCHEMBL13267005 0.76 F11 (0.73) F11KLKB1
SCHEMBL3004580 0.76 F11 (0.73) F11KLKB1
SCHEMBL3667315 0.76 F11 (0.54) F11KLKB1F9

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-20160229839-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2015-07-02 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-20150183770-A1 5-RING HETEROAROMATIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR3A, HTR6 F11 4448/4885KLKB1 4570/4885F9 4846/4885
US-20160229839-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI F11 1/4885KLKB1 14/4885F9 15/4885

“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.