SCHEMBL16607409

SCHEMBL16607409

C=Cc1ccc2c(n1)NCCC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.36
ITGAV P06756 12/20 0.36
UHRF1 Q96T88 1/20 0.34
CXCR4 P61073 5/20 0.34
ITGA2B P08514 1/20 0.34
NNMT P40261 1/20 0.33
ITGB5 P18084 3/20 0.32
ITGB6 P18564 2/20 0.32
ITGB8 P26012 1/20 0.32
ITGB1 P05556 1/20 0.32

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
SCHEMBL12158643 0.83 ITGB3 (0.36) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL325029 0.83 ITGB3 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL20091210 0.80 UHRF1 (0.36) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL10258928 0.79 NPC1 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL325441 0.79 NPC1 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL325440 0.79 NPC1 (0.39) ITGB3ITGAVCXCR4ITGA2BNNMT
SCHEMBL18105218 0.76 ITGB3 (0.33) ITGB3ITGAVUHRF1CXCR4ITGA2B
SCHEMBL21329809 0.76 ITGAV (0.36) ITGB3ITGAVCXCR4ITGA2BITGB5
SCHEMBL1081853 0.76 ITGAV (0.44) ITGB3ITGAVCXCR4ITGA2BITGB5
SCHEMBL24194417 0.75 ITGAV (0.35) ITGB3ITGAVCXCR4ITGA2BITGB5

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
EP-3929196-B1 PHARMACEUTICAL COMPOSITION OF A NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORP (JP) 2023-08-23 EP disclosed
US-20230257375-A1 AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2023-08-17 US disclosed
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
EP-3929196-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM Corporation (JP) 2021-12-29 EP disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
EP-3050878-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF Fujifilm Corporation (JP) 2016-08-03 EP disclosed
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
WO-2015046278-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF 富士フイルム株式会社 2015-04-02 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 (4 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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ITGB3 2323/4885ITGAV 3525/4885UHRF1 3072/4885
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease ITGAM, ITGAL, ITGB1 ITGB3 8/4885ITGAV 9/4885UHRF1 4809/4885
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ITGB3 2366/4885ITGAV 3539/4885UHRF1 3068/4885
US-20230257375-A1 AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES ITGA6, ITGA1, ITGA2 ITGB3 9/4885ITGAV 11/4885UHRF1 3456/4885

“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.