SCHEMBL23474398

SCHEMBL23474398

C[C@H](Nc1ncc(-c2ccccc2)n(CC(=O)NCc2cc3cnccc3[nH]2)c1=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.44
F7 P08709 6/20 0.42
NTRK3 Q16288 2/20 0.42
F2 P00734 9/20 0.41
F3 P13726 5/20 0.41
PRSS1 P07477 3/20 0.40
MAPK1 P28482 1/20 0.39
ATP1A1 P05023 1/20 0.37
ATP1B1 P05026 1/20 0.37
ATP1A3 P13637 1/20 0.37
ATP1B2 P14415 1/20 0.37
ATP1A2 P50993 1/20 0.37
ATP1B3 P54709 1/20 0.37
FXYD2 P54710 1/20 0.37
ATP1A4 Q13733 1/20 0.37

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
SCHEMBL23460646 0.93 F7 (0.49) NTRK1F7NTRK3F2F3
SCHEMBL30765440 0.89 F7 (0.39) NTRK1F7NTRK3F2F3
SCHEMBL23474447 0.88 NTRK1 (0.48) NTRK1F7NTRK3F2F3
SCHEMBL30765736 0.87 PDE2A (0.38) NTRK1F7F2F3PRSS1
SCHEMBL23474345 0.87 F2 (0.44) NTRK1F7NTRK3F2F3
SCHEMBL23474319 0.85 F2 (0.53) NTRK1F7NTRK3F2F3
SCHEMBL23460750 0.85 F2 (0.47) NTRK1F7NTRK3F2F3
SCHEMBL23474422 0.85 F2 (0.42) NTRK1F7NTRK3F2F3
SCHEMBL23511308 0.85 F2 (0.42) NTRK1F7NTRK3F2F3
SCHEMBL23474360 0.84 F2 (0.45) NTRK1F7NTRK3F2F3

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 NTRK1 4579/4885F7 930/4885NTRK3 4672/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 NTRK1 4819/4885F7 4789/4885NTRK3 4843/4885

“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.