SCHEMBL23474396

SCHEMBL23474396

O=C(Cn1c(-c2ccccc2)cnc(NCc2cc(F)cc(F)c2)c1=O)NCc1cc2cnccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F3 P13726 6/20 0.47
F7 P08709 4/20 0.47
F2 P00734 13/20 0.46
NTRK1 P04629 4/20 0.44
NTRK3 Q16288 1/20 0.42
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL23474446 0.94 F2 (0.47) F3F7F2NTRK1NTRK3
SCHEMBL23460598 0.94 F2 (0.49) F3F7F2NTRK1NTRK3
SCHEMBL23474319 0.93 F2 (0.53) F3F7F2NTRK1NTRK3
SCHEMBL30765597 0.91 F2 (0.51) F3F7F2NTRK1NTRK3
SCHEMBL23474404 0.91 F2 (0.46) F3F7F2NTRK1NTRK3
Trifluoroacetic Acid SCHEMBL23460813 0.91 F2 (0.49) F3F7F2NTRK1NTRK3
SCHEMBL23474223 0.89 F2 (0.49) F3F7F2NTRK1NTRK3
SCHEMBL23474445 0.89 F2 (0.54) F3F7F2PRSS1PRSS2
SCHEMBL23474441 0.89 F2 (0.57) F3F7F2PRSS1PRSS2
SCHEMBL23460750 0.88 F2 (0.47) F3F7F2NTRK1NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome OMEROS CORPORATION 2021-09-23 US disclosed
WO-2021178902-A1 METHODS OF INHIBITING MASP-2 FOR THE TREATMENT AND/OR PREVENTION OF CORONAVIRUS-INDUCED ACUTE RESPIRATORY DISTRESS SYNDROME OMEROS CORPORATION (US) 2021-09-10 WO disclosed
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO 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-20210292436-A1 Methods of Inhibiting MASP-2 for the Treatment and/or Prevention of Coronavirus-induced Acute Respiratory Distress Syndrome MASP2, ACE2, MAS1 F3 89/4885F7 930/4885F2 36/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 F3 3993/4885F7 4789/4885F2 4221/4885

“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.