SCHEMBL325029

SCHEMBL325029

O=Cc1ccc2c(n1)NCCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.39
ITGAV P06756 11/20 0.39
CCR1 P32246 1/20 0.38
ITGB6 P18564 5/20 0.37
ITGB5 P18084 3/20 0.37
ITGB1 P05556 1/20 0.37
FGFR4 P22455 2/20 0.36
CXCR4 P61073 3/20 0.36
ITGA2B P08514 1/20 0.36
NNMT P40261 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL16607409 0.83 ITGB3 (0.36) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL20091210 0.80 UHRF1 (0.36) ITGB3ITGAVITGB6ITGB5CXCR4
SCHEMBL10258928 0.79 NPC1 (0.39) ITGB3ITGAVITGB6CXCR4ITGA2B
SCHEMBL325441 0.79 NPC1 (0.39) ITGB3ITGAVITGB6CXCR4ITGA2B
SCHEMBL325440 0.79 NPC1 (0.39) ITGB3ITGAVITGB6CXCR4ITGA2B
SCHEMBL18105218 0.76 ITGB3 (0.33) ITGB3ITGAVITGB6ITGB5CXCR4
SCHEMBL21329809 0.76 ITGAV (0.36) ITGB3ITGAVITGB6ITGB5CXCR4
SCHEMBL24194417 0.75 ITGAV (0.35) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL25989073 0.75 ITGAV (0.35) ITGB3ITGAVITGB6ITGB5ITGB1

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250009915-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2025-01-09 US disclosed
CN-117903171-A Integrin inhibitors of a class of bicyclic derivatives 上海如凌生物医药有限公司 2024-04-19 CN disclosed
EP-4249471-A2 PHARMACEUTICAL COMPOSITION OF A NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM Corporation (JP) 2023-09-27 EP disclosed
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
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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11426473-B2 Nitrogen-containing compound or salt thereof, or metal complex thereof FUJIFILM CORPORATION (JP) 2022-08-30 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
WO-2001024797-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2001-04-12 WO disclosed
EP-0934305-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
US-6211184-B1 TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS MERCK & CO., INC. 2001-04-03 US disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 WO disclosed
WO-2000072801-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-12-07 WO disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
US-5981546-A Integrin antagonists MERCK & CO., INC. (US) 1999-11-09 US disclosed
EP-0934305-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-08-11 EP disclosed
WO-1998008840-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-03-05 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 (3 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 3525/4885CCR1 366/4885
US-11426473-B2 Nitrogen-containing compound or salt thereof, or metal complex thereof SLC39A3, SLC39A14, SLC39A11 ITGB3 2015/4885ITGAV 3495/4885CCR1 285/4885
US-20250009915-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ITGB3 2366/4885ITGAV 3539/4885CCR1 360/4885

“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.