SCHEMBL4958032

SCHEMBL4958032

Cn1nc(CCCNc2ccccn2)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.43
▸ CSNK2B P67870 2/20 0.43
▸ CSNK2A1 P68400 2/20 0.43
▸ KDM4D Q6B0I6 2/20 0.42
▸ ITGB3 P05106 10/20 0.41
▸ ITGAV P06756 10/20 0.41
▸ ITGB5 P18084 2/20 0.41
▸ HCAR3 P49019 2/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ SLC22A12 Q96S37 2/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGB6 P18564 1/20 0.38
▸ ITGA2B P08514 5/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HTT P42858 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
SCHEMBL8682759 0.90 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGB6
SCHEMBL7980652 0.79 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL8683774 0.78 SLC16A3 (0.41) ITGB3ITGAVITGB5SLC22A12ITGB1
SCHEMBL7982200 0.78 ITGAV (0.61) ITGB3ITGAVITGB1ITGA2B
SCHEMBL7979100 0.77 ITGAV (0.68) ITGB3ITGAVITGB1ITGA2B
SCHEMBL8682718 0.75 MAPK1 (0.44) CSNK2A2CSNK2BCSNK2A1KDM4DITGB3
Trifluoroacetic Acid SCHEMBL7979079 0.74 ITGAV (0.64) ITGB3ITGAVITGB1ITGA2B
SCHEMBL16607505 0.74 ALDH1A1 (0.53) KDM4DITGB3ITGAVITGB5HCAR3
SCHEMBL4261343 0.72 SLC22A12 (0.60) HCAR3PARP1SLC22A12
SCHEMBL6379876 0.71 ITGB3 (0.65) KDM4DITGB3ITGAVITGB5ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 — — US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 — — US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 — — EP disclosed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 — — US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 — — US disclosed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 — — US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 — — US disclosed
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 — — EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 — — WO disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 — — 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 CSNK2A2 4424/4885CSNK2B 4429/4885CSNK2A1 4502/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 CSNK2A2 3894/4885CSNK2B 3166/4885CSNK2A1 3728/4885

“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.

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