SCHEMBL462429

SCHEMBL462429

O=C(NC1CCN(C(=O)CO)CC1)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nc12

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.71
JAK2 O60674 19/20 0.71

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
SCHEMBL455690 0.88 NTRK1 (0.68) NTRK1JAK2
SCHEMBL460755 0.87 NTRK1 (0.76) NTRK1JAK2
SCHEMBL455133 0.87 NTRK1 (0.71) NTRK1JAK2
SCHEMBL461311 0.85 NTRK1 (0.67) NTRK1JAK2
SCHEMBL461074 0.84 NTRK1 (0.70) NTRK1JAK2
SCHEMBL30009555 0.83 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2694809 0.83 NTRK1 (1.00) NTRK1JAK2
SCHEMBL460745 0.83 NTRK1 (0.66) NTRK1JAK2
SCHEMBL462409 0.82 NTRK1 (0.68) NTRK1JAK2
SCHEMBL454481 0.81 NTRK1 (0.68) NTRK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO claimed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 US disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 US disclosed
WO-2023083356-A1 NITROGEN FUSED-HETEROCYCLIC AMIDE COMPOUND IN SOLID FORM AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-05-19 WO disclosed
WO-2023083357-A1 SALT OF NITROGEN-CONTAINING FUSED HETEROCYCLIC AMIDE COMPOUND, CRYSTAL FORM THEREOF, AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-05-19 WO disclosed
WO-2023083362-A1 DRUG FOR TREATING TUMORS 石药集团中奇制药技术(石家庄)有限公司 2023-05-19 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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 (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-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF ROS1, ALK, ROR1 NTRK1 7/4885JAK2 380/4885

“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.