SCHEMBL6225428

SCHEMBL6225428

O=C(O)c1cccc(NC2=NCCCN2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.63
ITGAV P06756 18/20 0.63
ITGA2B P08514 15/20 0.63
ITGB1 P05556 9/20 0.63
ITGB5 P18084 9/20 0.63
RHOA P61586 1/20 0.50
ITGB6 P18564 2/20 0.49

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
SCHEMBL30073956 1.00 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7753126 0.92 ADRA2A (0.58) ITGB3ITGAVITGA2BITGB1ITGB5
Hydrochloric Acid SCHEMBL7562956 0.90 ADRA2A (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7752171 0.86 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL20245885 0.83 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8541012 0.81 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8537499 0.81 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8538784 0.81 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6225174 0.81 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL19090485 0.81 KDM4E (0.48) ITGB3ITGAVITGA2BITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
CN-115348861-A Alpha-5 beta-1 inhibitors 加利福尼亚大学董事会 2022-11-15 CN disclosed
EP-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 EP disclosed
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 US disclosed
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed
EP-0889875-B1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES SEARLE & CO (US) 2001-06-20 EP disclosed
EP-1070085-A1 DUAL A v?b 3? AND METASTASIS-ASSOCIATED RECEPTOR LIGANDS G.D. SEARLE & CO. (US) 2001-01-24 EP disclosed
WO-1999051638-A1 DUAL Avb3 AND METASTASIS-ASSOCIATED RECEPTOR LIGANDS G.D. SEARLE & CO. (US) 1999-10-14 WO disclosed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
EP-0889875-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
US-5773644-A INTEGRIN ANTAGONISTS; TREATMENT OF RESTENOSIS, OSTEOPOROSIS, TUMOR METASTASIS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997036858-A1 CYCLOPROPYL ALKANOIC ACID DERIVATIVES G.D. SEARLE & CO. (US) 1997-10-09 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ITGB3 957/4885ITGAV 1756/4885ITGA2B 1033/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB3 957/4885ITGAV 1756/4885ITGA2B 1033/4885

“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.